Hasegawa Junya 長谷川淳也

… Alternative Names

HASEGAWA Jun-ya 長谷川淳也

長谷川淳也ハセガワジュンヤ

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Researcher Number	30322168
Other IDs
External Links
Affiliation (Current)	2022: 北海道大学, 触媒科学研究所, 教授
Affiliation (based on the past Project Information) *help	2016 – 2022: 北海道大学, 触媒科学研究所, 教授 2012 – 2015: 北海道大学, 触媒化学研究センター, 教授 2012: 京都大学, 大学院・工学研究科, 准教授 2011: 京都大学, 福井謙一記念研究センター, 准教授 2010: 京都大学, 大学院・工学研究科, 講師 … More 2008 – 2010: Kyoto University, 工学研究科, 講師 2008: Kyoto University, 大学院工学研究科, 講師 2006 – 2007: 京都大学, 工学研究科, 助教 2002 – 2006: 京都大学, 工学研究科, 助手 2000: 京都大学, 工学研究科, 助手 Less
Review Section/Research Field	Principal Investigator Science and Engineering / Physical chemistry / Biophysics / Basic Section 32010:Fundamental physical chemistry-related Except Principal Investigator Science and Engineering / Physical chemistry / Medium-sized Section 33:Organic chemistry and related fields
Keywords	Principal Investigator QM / 光合成反応中心 / 量子化学 / ポテンシャル面 / 励起状態理論 / MM法 / SAC-CI法 / 生体分子 / 光化学 / 励起状態 … More / レチナールたんぱく質 / 蛍ルシフェラーゼ / 水素吸蔵 / 光生物学 / 電子状態理論 / SAC-CI / MM / 光機能性蛋白質 / 分子間相互作用 / ソルバトクロミズム / 電子状態 / 電子移動 / 密度汎関数法 / 電子親和力 / 構造緩和 / 量子化学計算 / ポテンシャル・エネルギー面 / 分散力 / 軌道間相互作用 / 配位空間 / 量子論 / 分極相互作用 / 静電場 / 荷電分極 / 励起生体分子 / ヒト錐体視物質 / 蛍ルシフェリン / 理論化学 / マルチフィジクス理論 / カラーチューニング / 分子軌道局在化法 / オプシンシフト / 励起エネルギー移動 / 脱プロトン化シッフ塩基 / 蛍光蛋白質 / レチナール蛋白質 / 蛋白質の電子状態 / 電子励起状態 / タンパク質 / 溶液 / 凝集系 / 波動関数理論 / 電荷分離 / 蛋白質 / 生体触媒 / 系間交差 / ポテンシャルエネルギー面 / 触媒設計 / 複雑触媒反応場 / DFT計算 / ポテンシャルエネルギ面 / 反応機構 / 複雑分子系 / 触媒メカニズム / 電子構造 / 二酸化炭素固定 / 反応場精密制御 / 理論化学計算 / メカノケミストリ / 反応経路 / 反応原理 … More Except Principal Investigator 化学原理 / シュレーディンガー方程式の厳密解 / 理論精密分光学 / 生命量子論 / 巨大分子系 / 凝縮系 / 相対論的量子化学 / 遷移金属錯体 / ナノ材料 / 複合材料・物性 / 光物性 / 光スイッチ / 分子コンダクタンス / STM / 2次元相分離 / 相対論補正 / 励起状態 / 電子相関 / 芳香族性 / Plumbole / 冷却分子 / SAC-CI / 相対論効果 / SO分裂 / 光触媒反応 / MLCT / 銅触媒 / 不斉合成 / 極性転換 Less

Development of Enantioselective Reactions Based on Visible Light Excitation of Chiral Transition Metal Catalysts
- Principal Investigator
  
  澤村正也
- Project Period (FY)
  2021 – 2024
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Review Section
  
  Medium-sized Section 33:Organic chemistry and related fields
- Research Institution
  Hokkaido University
Development of Reaction Concepts and Computational Methods for Chemical Reactions under Mechanochemical StimulationsPrincipal Investigator
- Principal Investigator
  
  長谷川淳也
- Project Period (FY)
  2020 – 2023
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Hokkaido University
Development and application of computational methods toward controlling the active site of bio-catalystsPrincipal Investigator
- Principal Investigator
  
  Hasegawa Jun-ya
- Project Period (FY)
  2015 – 2019
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Hokkaido University
Molecular Excited States in Proteins and Solutions: A Wave Function Approach and its Extension to Quantum Mechanical Force FieldPrincipal Investigator
- Principal Investigator
  
  HASEGAWA Jun-ya
- Project Period (FY)
  2012 – 2014
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Hokkaido University
Quantum-Chemical Study on Magnetic Molecular Properties andChemical Reactions in Excited States Based on the RelativisticSAC-CI Theory
- Principal Investigator
  
  HADA Masahiko
- Project Period (FY)
  2010 – 2012
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Tokyo Metropolitan University
Development of inter-molecular interaction theory for excited statesPrincipal Investigator
- Principal Investigator
  
  HASEGAWA Jun-ya
- Project Period (FY)
  2009 – 2011
- Research Category
  
  Grant-in-Aid for Young Scientists (A)
- Research Field
  
  Physical chemistry
- Research Institution
  Kyoto University
光生物学における分子理論の展開:励起状態理論の開発を基盤としてPrincipal Investigator
- Principal Investigator
  
  長谷川淳也
- Project Period (FY)
  2008 – 2009
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Kyoto University
DNA2重螺旋におけるCircular Dichroismの理論分光Principal Investigator
- Principal Investigator
  
  長谷川淳也
- Project Period (FY)
  2007
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Kyoto University
Construction of avalanche photochromic system
- Principal Investigator
  
  MATSUDA Kenji
- Project Period (FY)
  2007 – 2010
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Kyoto University
  Kyushu University
水素吸蔵の量子的原理:新規材料設計への展開Principal Investigator
- Principal Investigator
  
  長谷川淳也
- Project Period (FY)
  2006 – 2007
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Kyoto University
Excited states of bio-molecules and their dynamics : Electronic-structure theoretical approachPrincipal Investigator
- Principal Investigator
  
  HASEGAWA Jun-ya
- Project Period (FY)
  2006 – 2008
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Biophysics
- Research Institution
  Kyoto University
配位空間のポテンシャル面:計算化学によるアプローチPrincipal Investigator
- Principal Investigator
  
  長谷川淳也
- Project Period (FY)
  2005
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Kyoto University
量子的化学原理の深化と実現
- Principal Investigator
  
  中辻博
- Project Period (FY)
  2002 – 2006
- Research Category
  
  Grant-in-Aid for Creative Scientific Research
- Research Institution
  Kyoto University
光合成反応におけるエネルギー変換の量子化学Principal Investigator
- Principal Investigator
  
  長谷川淳也
- Project Period (FY)
  2000
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas (A)
- Review Section
  
  Science and Engineering
- Research Institution
  Kyoto University

[Book] "水素吸蔵体:分子間相互作用の解析と分子設計への展望",配位空間の化学-最新技術と応用-;2009
- Author(s)
  長谷川淳也
- Publisher
  シーエムシー出版
- Data Source
  KAKENHI-PROJECT-21685002
[Book] "水素吸蔵体:分子間相互作用の解析と分子設計への展望",配位空間の化学-最新技術と応用-;2009
- Author(s)
  長谷川淳也
- Publisher
  シーエムシー出版
- Data Source
  KAKENHI-PROJECT-20038026
[Book] Radiation Induced Molecular Phenomena in Nucleic Acid : A Comprehensive Theoretical and Experimental Analysis, (Ed., by M. Shukla and J. Leszczynsk), (Exploring Photo-Biology and Bio-Spectroscopy with the SAC-CI (Symmetry-Adapted Cluster-Configuration Interaction) Method)2008
- Author(s)
  J. Hasegawa and H. Nakatsuji
- Publisher
  Springer
- Data Source
  KAKENHI-PROJECT-18770130
[Book] "SAC-CI method applied to molecular spectroscopy" in "Theory and Applications of Computational Chemistry : The First 40 Years"2005
- Author(s)
  M.Ehara, J.Hasegawa, H.Nakatsuji
- Publisher
  Elsevier Science (in press)
- Data Source
  KAKENHI-PROJECT-14GS0217
[Journal Article] Photoinduced copper-catalyzed asymmetric acylation of allylic phosphates with acylsilanes2022
- Author(s)
  Ueda Yusuke、Masuda Yusuke、Iwai Tomohiro、Imaeda Keisuke、Takeuchi Hiroki、Ueno Kosei、Gao Min、Hasegawa Jun-ya、Sawamura Masaya
- Journal Title
  
  Journal of the American Chemical Society
  
  Volume: 144 Pages: 2218-2224
- DOI
  10.1021/jacs.1c11526
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-19H04667, KAKENHI-PLANNED-21H05237, KAKENHI-PROJECT-20H02685, KAKENHI-PROJECT-21J11643, KAKENHI-PROJECT-21K14626
[Journal Article] Deoxygenative CO2 Conversions with Triphenylborane and Phenylsilane in the Presence of Secondary Amines or Nitrogen-Containing Aromatics2022
- Author(s)
  Murata Takumi、Hiyoshi Mahoko、Maekawa Shinsuke、Saiki Yuta、Ratanasak Manussada、Hasegawa Jun-ya、Ema Tadashi
- Journal Title
  
  Green Chemistry
  
  Volume: 24 Pages: 2385-2390
- DOI
  10.1039/d1gc04599g
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20H02685, KAKENHI-PROJECT-20H02780
[Journal Article] Doubly linked chiral phenanthrene oligomers for homogeneously π-extended helicenes with large effective conjugation length2022
- Author(s)
  Yusuke Nakakuki, Takashi Hirose, Hikaru Sotome, Min Gao, Daiki Shimizu, Ruiji Li, Jun-ya Hasegawa, Hiroshi Miyasaka, Kenji Matsuda
- Journal Title
  
  Nature Communications
  
  Volume: 13 Pages: 1475-1475
- DOI
  10.1038/s41467-022-29108-8
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-21H05395, KAKENHI-PROJECT-20H02685, KAKENHI-PROJECT-21H01888, KAKENHI-PROJECT-19J21095, KAKENHI-PROJECT-21KK0092
[Journal Article] C-H Bond Activation Mechanism by a Pd(II)(μ-O)Au(0) Structure Unique to Heterogeneous Catalysts2022
- Author(s)
  Takei Daisuke、Yatabe Takafumi、Yabe Tomohiro、Miyazaki Ray、Hasegawa Jun-ya、Yamaguchi Kazuya
- Journal Title
  
  JACS Au
  
  Volume: 2 Pages: 394-406
- DOI
  10.1021/jacsau.1c00433
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-20K22547, KAKENHI-PROJECT-19H02509, KAKENHI-PROJECT-20H02685, KAKENHI-PROJECT-21K14460
[Journal Article] A boron-transfer mechanism mediating the thermally induced revival of frustrated carbene-borane pairs from their shelf-stable adducts2021
- Author(s)
  Hoshimoto Yoichi、Sakuraba Mahiro、Kinoshita Takuya、Ohbo Masaki、Ratanasak Manussada、Hasegawa Jun-ya、Ogoshi Sensuke
- Journal Title
  
  Communications Chemistry
  
  Volume: 4
- DOI
  10.1038/s42004-021-00576-1
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20H02685
[Journal Article] Design and prediction of high potent ansa-zirconocene catalyst for olefin polymerizations: combined DFT calculations and QSPR approach2021
- Author(s)
  Ratanasak Manussada、Hasegawa Jun-ya、Parasuk Vudhichai
- Journal Title
  
  New Journal of Chemistry
  
  Volume: - Pages: 8248-8257
- DOI
  10.1039/d1nj00655j
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02685
[Journal Article] OpenMechanochem: A Python module for mechanochemical simulations2021
- Author(s)
  De Chavez Danjo、Hasegawa Jun-ya
- Journal Title
  
  SoftwareX
  
  Volume: 16 Pages: 100879-100879
- DOI
  10.1016/j.softx.2021.100879
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20H02685
[Journal Article] Impact of tensile and compressive forces on the hydrolysis of cellulose and chitin2021
- Author(s)
  Kobayashi Hirokazu、Suzuki Yusuke、Sagawa Takuya、Kuroki Kyoichi、Hasegawa Jun-ya、Fukuoka Atsushi
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 23 Pages: 15908-15916
- DOI
  10.1039/d1cp01650d
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20H02685
[Journal Article] Mechanism of the Asymmetric Dehydrative Allylative Cyclization of Alcohols to Cyclic Ethers Catalyzed by a CpRu Complex of the Chiral Picolinic Acid-Type Ligand, Cl-Naph-PyCOOH: Is a π-Allyl Intermediate Present?2021
- Author(s)
  Suzuki Yusuke、Iwase Shoutaro、Ratanasak Manussada、Hasegawa Jun-ya、Tanaka Shinji、Kitamura Masato
- Journal Title
  
  Bulletin of the Chemical Society of Japan
  
  Volume: 94 Pages: 440-450
- DOI
  10.1246/bcsj.20200228
- NAID
  130007995431
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K21191, KAKENHI-PROJECT-16H02274, KAKENHI-PROJECT-20H02685
[Journal Article] On the Electronic Structure Origin of Mechanochemically Induced Selectivity in Acid-Catalyzed Chitin Hydrolysis2021
- Author(s)
  Danjo De Chavez, Hirokazu Kobayashi, Atsushi Fukuoka, Jun-ya Hasegawa
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 125 Pages: 187-197
- DOI
  10.1021/acs.jpca.0c09030
- NAID
  120007184598
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18H01781, KAKENHI-PROJECT-20H02685
[Journal Article] Co Single Atoms in ZrO2 with Inherent Oxygen Vacancies for Selective Hydrogenation of CO2 to CO2021
- Author(s)
  Dostagir Nazmul Hasan MD、Rattanawan Rattanawalee、Gao Min、Ota Jin、Hasegawa Jun-ya、Asakura Kiyotaka、Fukouka Atsushi、Shrotri Abhijit
- Journal Title
  
  ACS Catalysis
  
  Volume: 11 Pages: 9450-9461
- DOI
  10.1021/acscatal.1c02041
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20H02685, KAKENHI-PROJECT-20K05217
[Journal Article] A Triad Fluorenone Derivative Bearing Two Imidazole Groups That Switches between Three States by Base and Acid Stimuli2021
- Author(s)
  Wang Yuting、Maity Nabin、Zhao Liming、Kr?mer Maximilian、Hasegawa Jun-ya、Shichibu Yukatsu、Konishi Katsuaki、Wang Xiaoyuan、Song Zhiyi、Bando Masayoshi、Nakano Tamaki
- Journal Title
  
  Chemistry Letters
  
  Volume: 50 Issue: 7 Pages: 1363-1367
- DOI
  10.1246/cl.210112
- NAID
  130008065503
- ISSN
  0366-7022, 1348-0715
- Language
  English
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19H02759, KAKENHI-PROJECT-20H02685
[Journal Article] Ionic Liquid-Stabilized Single-Atom Rh Catalyst Against Leaching2021
- Author(s)
  Ding Shipeng、Husley Max J.、An Hua、He Qian、Asakura Hiroyuki、Gao Min、Hasegawa Jun-ya、Tanaka Tsunehiro、Yan Ning
- Journal Title
  
  CCS Chemistry
  
  Volume: 3 Pages: 1814-1822
- DOI
  10.31635/ccschem.021.202101063
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02685, KAKENHI-PROJECT-20K05217
[Journal Article] Tuning Transition Electric and Magnetic Dipole Moments: [7]Helicenes Showing Intense Circularly Polarized Luminescence2021
- Author(s)
  Kubo Hiromu、Hirose Takashi、Nakashima Takuya、Kawai Tsuyoshi、Hasegawa Jun-ya、Matsuda Kenji
- Journal Title
  
  The Journal of Physical Chemistry Letters
  
  Volume: 12 Pages: 686-695
- DOI
  10.1021/acs.jpclett.0c03174
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-19H04573, KAKENHI-PROJECT-18J21819, KAKENHI-PROJECT-18K05077, KAKENHI-PLANNED-20H05868, KAKENHI-PROJECT-20H02685
[Journal Article] Mechanistic study of C-H bond activation by O2 on negatively charged Au clusters: α,β-dehydrogenation of 1-methyl-4-piperidone by supported Au catalysts2021
- Author(s)
  Miyazaki Ray、Jin Xiongjie、Yoshii Daichi、Yatabe Takafumi、Yabe Tomohiro、Mizuno Noritaka、Yamaguchi Kazuya、Hasegawa Jun-ya
- Journal Title
  
  Catalysis Science & Technology
  
  Volume: 11 Pages: 3333-3346
- DOI
  10.1039/d1cy00178g
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20H02685
[Journal Article] Chemoselective Transesterification of Methyl (Meth)acrylates Catalyzed by Sodium(I) or Magnesium(II) Aryloxides2020
- Author(s)
  Ng Jie Qi、Arima Hiro、Mochizuki Takuya、Toh Kohei、Matsui Kai、Ratanasak Manussada、Hasegawa Jun-Ya、Hatano Manabu、Ishihara Kazuaki
- Journal Title
  
  ACS Catalysis
  
  Volume: 11 Pages: 199-207
- DOI
  10.1021/acscatal.0c04217
- NAID
  120007181814
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K20559, KAKENHI-PROJECT-15H05755, KAKENHI-PROJECT-20H02685, KAKENHI-PROJECT-20H02735
[Journal Article] Self-Assembled Multilayer Iron(0) Nanoparticle Catalyst for Ligand-Free Carbon?Carbon/Carbon?Nitrogen Bond-Forming Reactions2020
- Author(s)
  Akiyama Toshiki、Wada Yuki、Yamada Makito、Shio Yasunori、Honma Tetsuo、Shimoda Shuhei、Tsuruta Kazuki、Tamenori Yusuke、Haneoka Hitoshi、Suzuki Takeyuki、Harada Kazuo、Tsurugi Hayato、Mashima Kazushi、Hasegawa Jun-ya、Sato Yoshihiro、Arisawa Mitsuhiro
- Journal Title
  
  Organic Letters
  
  Volume: 22 Pages: 7244-7249
- DOI
  10.1021/acs.orglett.0c02574
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20H02685, KAKENHI-PROJECT-20H03360, KAKENHI-PROJECT-19J12597, KAKENHI-PROJECT-15KT0063
[Journal Article] Spin-inversion mechanisms in O2 binding to a model heme complex revisited by density function theory calculations2020
- Author(s)
  Saito Kohei、Watabe Yuya、Fujihara Takashi、Takayanagi Toshiyuki、Hasegawa Jun‐ya
- Journal Title
  
  J. Comp. Chem.
  
  Volume: 41 Pages: 1130-1138
- DOI
  10.1002/jcc.26159
- NAID
  120007034051
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-15H05805, KAKENHI-PROJECT-17KT0093, KAKENHI-PROJECT-20H02685
[Journal Article] Roles of Salicylate Donors in Enhancement of Productivity and Isotacticity of Ziegler-Natta Catalyzed Propylene Polymerization2020
- Author(s)
  Ratanasak Manussada、Hasegawa Jun-ya、Parasuk Vudhichai
- Journal Title
  
  Polymers
  
  Volume: 12 Pages: 883-883
- DOI
  10.3390/polym12040883
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805, KAKENHI-PROJECT-20H02685
[Journal Article] A detailed analysis of the spin-crossover reaction of H2S binding to heme and the six-coordinated FeP(Im)-HS- porphyrin complex2020
- Author(s)
  Ostojic B.D.、Schwerdtfeger P.、Nakayama A.、Hasegawa J.、Drorevic D.S.
- Journal Title
  
  Journal of Inorganic Biochemistry
  
  Volume: 206 Pages: 111049-111049
- DOI
  10.1016/j.jinorgbio.2020.111049
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805, KAKENHI-PROJECT-20H02685
[Journal Article] Spin‐inversion mechanisms in O2 binding to a model heme compound: A perspective from nonadiabatic wave packet calculations2020
- Author(s)
  Saito Kohei、Watabe Yuya、Miyazaki Takaaki、Takayanagi Toshiyuki、Hasegawa Jun‐ya
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 41 Pages: 2527-2537
- DOI
  10.1002/jcc.26409
- NAID
  120007168174
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20H02685
[Journal Article] Mechanistic Study on Deoxydehydration and Hydrogenation of Methyl Glycosides to Dideoxy Sugars over a ReOx-Pd/CeO2 Catalyst2020
- Author(s)
  Cao Ji、Tamura Masazumi、Hosaka Ryu、Nakayama Akira、Hasegawa Jun-ya、Nakagawa Yoshinao、Tomishige Keiichi
- Journal Title
  
  ACS Catalysis
  
  Volume: 10 Pages: 12040-12051
- DOI
  10.1021/acscatal.0c02309
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18H05247, KAKENHI-PROJECT-20H02685
[Journal Article] Zeolite-supported ultra-small nickel as catalyst for selective oxidation of methane to syngas2020
- Author(s)
  S. Yasuda, R. Osuga, Y. Kunitake, K. Kato, A. Fukuoka, H. Kobayashi, M. Gao, J. Hasegawa, R. Manabe, H. Shima, S. Tsutsuminai, T. Yokoi
- Journal Title
  
  Communications Chemistry
  
  Volume: 3 Pages: 129-129
- DOI
  10.1038/s42004-020-00375-0
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-20K05217, KAKENHI-PROJECT-20H02685
[Journal Article] Delocalization Effect Promoted the Indoor Air Purification via Directly Unlocking the Ring-Opening Pathway of Toluene2020
- Author(s)
  Qu Wenqiang、Wang Penglu、Gao Min、Hasegawa Jun-ya、Shen Zhi、Wang Qing、Li Ruomei、Zhang Dengsong
- Journal Title
  
  Environmental Science & Technology
  
  Volume: 54 Pages: 9693-9701
- DOI
  10.1021/acs.est.0c02906
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02685
[Journal Article] Synthesis of silyl formates, formamides, and aldehydes via solvent-free organocatalytic hydrosilylation of CO22020
- Author(s)
  Murata Takumi、Hiyoshi Mahoko、Ratanasak Manussada、Hasegawa Jun-ya、Ema Tadashi
- Journal Title
  
  Chemical Communications
  
  Volume: - Pages: 5783-5786
- DOI
  10.1039/d0cc01371d
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-15H05805, KAKENHI-PROJECT-20H02685
[Journal Article] Aluminum porphyrins with quaternary ammonium halides as catalysts for copolymerization of cyclohexene oxide and CO2: metal-ligand cooperative catalysis2020
- Author(s)
  J. Deng, M. Ratanasak, Y. Sako, H. Tokuda, C. Maeda, J. Hasegawa, K. Nozaki, T. Ema
- Journal Title
  
  Chemical Science
  
  Volume: in press Pages: 5669-5675
- DOI
  10.1039/d0sc01609h
- NAID
  120006869575
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-15H05796, KAKENHI-PROJECT-20H02685, KAKENHI-PROJECT-18H05259
[Journal Article] Catalytic Mechanism of Liquid-Metal Indium for Direct Dehydrogenative Conversion of Methane to Higher Hydrocarbons2020
- Author(s)
  Nishikawa Yuta、Ohtsuka Yuhki、Ogihara Hitoshi、Rattanawan Rattanawalee、Gao Min、Nakayama Akira、Hasegawa Jun-ya、Yamanaka Ichiro
- Journal Title
  
  ACS Omega
  
  Volume: 5 Pages: 28158-28167
- DOI
  10.1021/acsomega.0c03827
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20H02685
[Journal Article] Extending nudged elastic band method to reaction pathways involving multiple spin states2020
- Author(s)
  Zhao Liming、Watanabe K-jiro、Nakatani Naoki、Nakayama Akira、Xu Xin、Hasegawa Jun-ya
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 153 Pages: 134114-134114
- DOI
  10.1063/5.0021923
- NAID
  120007160298
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02685
[Journal Article] DFT Mechanistic Study on the Complete Oxidation of Ethylene by the Silica-Supported Pt Catalyst: C=C Activation via the Ethylene Dioxide Intermediate2019
- Author(s)
  Miyazaki Ray、Nakatani Naoki、Levchenko Sergey V.、Yokoya Takuro、Nakajima Kiyotaka、Hara Kenji、Fukuoka Atsushi、Hasegawa Jun-ya
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 123 Pages: 12706-12715
- DOI
  10.1021/acs.jpcc.9b00158
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805, KAKENHI-PUBLICLY-18H04273
[Journal Article] Ni-Catalyzed Cycloisomerization between 3-Phenoxy Acrylic Acid Derivatives and Alkynes via Intramolecular Cleavage and Formation of the C?O Bond To Give 2,3-Disubstituted Benzofurans2019
- Author(s)
  Ohno Shohei、Qiu Jiawei、Miyazaki Ray、Aoyama Hiroshi、Murai Kenichi、Hasegawa Jun-ya、Arisawa Mitsuhiro
- Journal Title
  
  Organic Letters
  
  Volume: 21 Pages: 8400-8403
- DOI
  10.1021/acs.orglett.9b03170
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-15H05805, KAKENHI-PROJECT-19J12777, KAKENHI-PUBLICLY-18H04260, KAKENHI-PROJECT-15KT0063
[Journal Article] Electrostatic Stabilization of Single-Atom Catalysts by Ionic Liquids2019
- Author(s)
  Ding Shipeng、Guo Yalin、Huelsey Max J.、Zhang Bin、Asakura Hiroyuki、Liu Lingmei、Han Yu、Gao Min、Hasegawa Jun-ya、Qiao Botao、Zhang Tao、Yan Ning
- Journal Title
  
  Chem
  
  Volume: 5 Pages: 3207-3219
- DOI
  10.1016/j.chempr.2019.10.007
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Journal Article] Methyl‐Selective α‐Oxygenation of Tertiary Amines to Formamides by Employing Copper/Moderately Hindered Nitroxyl Radical (DMN‐AZADO or 1‐Me‐AZADO)2019
- Author(s)
  S. Nakai, T. Yatabe, K. Suzuki, Y. Sasano, Y. Iwabuchi, J. Hasegawa, N. Mizuno, K. Yamaguchi
- Journal Title
  
  Angewandte Chemie International Edition
  
  Volume: 58 Pages: 16651-16659
- DOI
  10.1002/anie.201909005
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-15H05797, KAKENHI-PLANNED-15H05805, KAKENHI-PUBLICLY-18H04232, KAKENHI-PROJECT-19H03347
[Journal Article] Theoretical Study on the Rhodium-Catalyzed Hydrosilylation of C?C and C?O Double Bonds with Tertiary Silane2019
- Author(s)
  Zhao Liming、Nakatani Naoki、Sunada Yusuke、Nagashima Hideo、Hasegawa Jun-ya
- Journal Title
  
  Journal of Organic Chemistry
  
  Volume: 84 Pages: 8552-8561
- DOI
  10.1021/acs.joc.9b00959
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805, KAKENHI-PUBLICLY-18H04240, KAKENHI-PROJECT-18K19082, KAKENHI-PROJECT-18H01980
[Journal Article] Experimental and theoretical study of multinuclear indium oxo clusters in CHA zeolite for CH4 activation at room temperature2019
- Author(s)
  Maeno Zen、Yasumura Shunsaku、Liu Chong、Toyao Takashi、Kon Kenichi、Nakayama Akira、Hasegawa Jun-ya、Shimizu Ken-ichi
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 21 Pages: 13415-13427
- DOI
  10.1039/c9cp01873e
- NAID
  120006866524
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-15H05805, KAKENHI-PROJECT-19F19059, KAKENHI-PROJECT-18K14057
[Journal Article] Selective Catalytic Reduction of NOx with NH3 by Using Novel Catalysts: State of the Art and Future Prospects2019
- Author(s)
  Han Lupeng、Cai Sixiang、Gao Min、Hasegawa Jun-ya、Wang Penglu、Zhang Jianping、Shi Liyi、Zhang Dengsong
- Journal Title
  
  Chemical Reviews
  
  Volume: 119 Pages: 10916-10976
- DOI
  10.1021/acs.chemrev.9b00202
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Journal Article] Theoretical Study on the C-H Activation of Methane by Liquid Metal Indium: Catalytic Activity of Small Indium Clusters2019
- Author(s)
  Ohtsuka Yuhki、Nishikawa Yuta、Ogihara Hitoshi、Yamanaka Ichiro、Ratanasak Manussada、Nakayama Akira、Hasegawa Jun-ya
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 123 Pages: 8907-8912
- DOI
  10.1021/acs.jpca.9b06374
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-15H05805
[Journal Article] l-Cysteine-Modified Acacia Gum as a Multifunctional Binder for Lithium-Sulfur Batteries2019
- Author(s)
  Qi Qi、Deng Yaqian、Gu Sichen、Gao Min、Hasegawa Jun-ya、Zhou Guangmin、Lv Xiaohui、Lv Wei、Yang Quan-Hong
- Journal Title
  
  ACS Applied Materials & Interfaces
  
  Volume: 11 Pages: 47956-47962
- DOI
  10.1021/acsami.9b17458
- NAID
  120006950866
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Journal Article] Constraint structure optimization to a specific minimum using ionization energy2019
- Author(s)
  I. Harada, A. Nakayama, and J. Hasegawa
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 40 Pages: 507-514
- DOI
  10.1002/jcc.25738
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K06563, KAKENHI-PLANNED-15H05805
[Journal Article] SO2-Tolerant Selective Catalytic Reduction of NOx over Meso-TiO2@Fe2O3@Al2O3 Metal-Based Monolith Catalysts2019
- Author(s)
  Han Lupeng、Gao Min、Hasegawa Jun-ya、Li Shuangxi、Shen Yongjie、Li Hongrui、Shi Liyi、Zhang Dengsong
- Journal Title
  
  Environmental Science & Technology
  
  Volume: 53 Pages: 6462-6473
- DOI
  10.1021/acs.est.9b00435
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-15H05805
[Journal Article] Selective Synthesis of Primary Anilines from NH3 and Cyclohexanones by Utilizing Preferential Adsorption of Styrene on the Pd Nanoparticle Surface2019
- Author(s)
  Koizumi Yu、Jin Xiongjie、Yatabe Takafumi、Miyazaki Ray、Hasegawa Jun‐ya、Nozaki Kyoko、Mizuno Noritaka、Yamaguchi Kazuya
- Journal Title
  
  Angew. Chem. Int. Ed.
  
  Volume: 58 Pages: 10893-10897
- DOI
  10.1002/anie.201903841
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-15H05796, KAKENHI-PLANNED-15H05797, KAKENHI-PLANNED-15H05805, KAKENHI-PROJECT-19H02509
[Journal Article] Adsorption mediated tandem acid catalyzed cellulose hydrolysis by ortho-substituted benzoic acids2019
- Author(s)
  De Chavez Danjo P.、Gao Min、Kobayashi Hirokazu、Fukuoka Atsushi、Hasegawa Jun-ya
- Journal Title
  
  Molecular Catalysis
  
  Volume: 475 Pages: 110459-110459
- DOI
  10.1016/j.mcat.2019.110459
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-15H05805
[Journal Article] A First-Order Interacting Space Approach to Excited-State Molecular Interaction: Solvatochromic shift of p-Coumaric Acid and Retinal Schiff Base2018
- Author(s)
  K. Yanai, K. Ishimura, A. Nakayama, J. Hasegawa
- Journal Title
  
  Journal of Chemical Theory and Computation
  
  Volume: 14 Pages: 3643-3655
- DOI
  10.1021/acs.jctc.7b01089
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-15H05805, KAKENHI-PROJECT-15K06563, KAKENHI-PROJECT-16K00175
[Journal Article] Transition States of Spin-State Crossing Reactions from Organometallics to Biomolecular Excited States2018
- Author(s)
  N. Nakatani, A. Nakayama, and J. Hasegawa
- Journal Title
  
  Frontiers of Quantum Chemistry
  
  Volume: - Pages: 289-314
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-15H05805
[Journal Article] Quaternary Alkyl Ammonium Salt-Catalyzed Transformation of Glycidol to Glycidyl Esters by Transesterification of Methyl Esters2018
- Author(s)
  田中真司, 中島拓哉, 前田敏江, Ratanasak Manussada, 長谷川淳也, 今喜裕, 田村正則, 佐藤一彦
- Journal Title
  
  ACS Catal.
  
  Volume: 8 Pages: 1097-1103
- DOI
  10.1021/acscatal.7b03303
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-16H01044, KAKENHI-PLANNED-15H05805
[Journal Article] CuCl/TMEDA/nor-AZADO-catalyzed aerobic oxidative acylation of amides with alcohols to produce imides2018
- Author(s)
  Kataoka Kengo、Wachi Keiju、Jin Xiongjie、Suzuki Kosuke、Sasano Yusuke、Iwabuchi Yoshiharu、Hasegawa Jun-ya、Mizuno Noritaka、Yamaguchi Kazuya
- Journal Title
  
  Chem. Sci.
  
  Volume: 9 Pages: 4756-4768
- DOI
  10.1039/c8sc01410h
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-15H05797, KAKENHI-PLANNED-15H05805, KAKENHI-PUBLICLY-18H04232, KAKENHI-PROJECT-16H05072, KAKENHI-PROJECT-17K14860
[Journal Article] Recyclable and efficient polyurethane-Ir catalysts for direct borylation of aromatic compounds2017
- Author(s)
  Kimura Akihiro、Hayama Haruka、Hasegawa Jun-ya、Nageh Hassan、Wang Yue、Naga Naofumi、Nishida Mayumi、Nakano Tamaki
- Journal Title
  
  Polymer Chemistry
  
  Volume: 8 Pages: 7406-7415
- DOI
  10.1039/c7py01509g
- NAID
  120006545086
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-15H05805
[Journal Article] Selected configuration interaction method using sampled first-order corrections to wave functions2017
- Author(s)
  Ohtsuka Yuhki、Hasegawa Jun-ya
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 147 Pages: 034102-034102
- DOI
  10.1063/1.4993214
- NAID
  120006488396
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-15H05805, KAKENHI-PROJECT-16K13935
[Journal Article] Photo-induced β-elimination of 9-fluorenylmethanol leading to dibenzofulvene2017
- Author(s)
  H. Nageh, L. Zhao, A. Nakayama, J. Hasegawa, Y. Wang, and T. Nakano
- Journal Title
  
  Chemical Communications
  
  Volume: 53 Pages: 8431-8434
- DOI
  10.1039/c7cc03297h
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K06563, KAKENHI-PLANNED-15H05805, KAKENHI-PUBLICLY-16H00952
[Journal Article] Catalytic Cyclopropanation by Myoglobin Reconstituted with Iron Porphycene: Acceleration of Catalysis due to Rapid Formation of the Carbene Species2017
- Author(s)
  K. Oohora, H. Meichin, L. Zhao, M. W. Wolf, A. Nakayama, J. Hasegawa, N. Lehnert, and T. Hayashi
- Journal Title
  
  Journal of the American Chemical Society
  
  Volume: 139 Pages: 17265-17268
- DOI
  10.1021/jacs.7b10154
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K06563, KAKENHI-PLANNED-15H05804, KAKENHI-PLANNED-15H05805, KAKENHI-PUBLICLY-16H00952, KAKENHI-PUBLICLY-16H00837, KAKENHI-PROJECT-16H06045
[Journal Article] Selective Dehydration of Mannitol to Isomannide over Hβ Zeolite2017
- Author(s)
  Yokoyama Haruka、Kobayashi Hirokazu、Hasegawa Jun-ya、Fukuoka Atsushi
- Journal Title
  
  ACS Catalysis
  
  Volume: 7 Pages: 4828-4834
- DOI
  10.1021/acscatal.7b01295
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-15H05805
[Journal Article] Formation of a New, Strongly Basic Nitrogen Anion by Metal Oxide Modification2017
- Author(s)
  M. Tamura, R. Kishi, A. Nakayama, Y. Nakagawa, J. Hasegawa, and K. Tomishige
- Journal Title
  
  Journal of the American Chemical Society
  
  Volume: 139 Pages: 11857-11867
- DOI
  10.1021/jacs.7b05227
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K06563, KAKENHI-PLANNED-15H05805, KAKENHI-PUBLICLY-16H00952
[Journal Article] A coordination strategy to realize a sextuply-bonded complex2017
- Author(s)
  Chen Yue、Hasegawa Jun-ya、Yamaguchi Kazuya、Sakaki Shigeyoshi
- Journal Title
  
  Phys. Chem. Chem. Phys.
  
  Volume: 19 Pages: 14947-14954
- DOI
  10.1039/c7cp00871f
- NAID
  120006456411
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-15H05805, KAKENHI-PROJECT-15H03770
[Journal Article] Hidden radical reactivity of the [FeO] 2+ group in the H-abstraction from methane: DFT and CASPT2 supported mechanism by the example of model iron (hydro)oxide species2017
- Author(s)
  Kovalskii V.、Shubin A.、Chen Y.、Ovchinnikov D.、Ruzankin S.Ph.、Hasegawa J.、Zilberberg I.、Parmon V.N.
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 679 Pages: 193-199
- DOI
  10.1016/j.cplett.2017.05.002
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Journal Article] A DFT and multi-configurational perturbation theory study on O2 binding to a model heme compound via the spin-change barrier2016
- Author(s)
  Y. Kitagawa, Y. Chen, N. Nakatani, A. Nakayama, and J. Hasegawa
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 18 Pages: 18137-18144
- DOI
  10.1039/c6cp02329k
- NAID
  120006324911
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-15H05805, KAKENHI-PUBLICLY-16H00952, KAKENHI-PROJECT-15K20832, KAKENHI-PROJECT-15K06563
[Journal Article] Theoretical Study on Highly Active Bifunctional Metalloporphyrin Catalysts for the Coupling Reaction of Epoxides with Carbon Dioxide2016
- Author(s)
  J. Hasegawa, R. Miyazaki, C. Maeda, and T. Ema
- Journal Title
  
  Chem. Rec.
  
  Volume: 16 Pages: 2260-2267
- DOI
  10.1002/tcr.201600053
- NAID
  120006347200
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-15H05805
[Journal Article] Highly Active and Robust Metalloporphyrin Catalysts for the Synthesis of Cyclic Carbonates from a Broad Range of Epoxides and Carbon Dioxide2016
- Author(s)
  Maeda Chihiro, Shimonishi Junta, Miyazaki Ray, Hasegawa Jun-ya, Ema Tadashi
- Journal Title
  
  Chemistry, Eur. J.
  
  Volume: 印刷中
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-15H05805
[Journal Article] Gold nanoparticles on OMS-2 for heterogeneously catalyzed aerobic oxidative α, β-dehydrogenation of b-heteroatom-substituted ketones2016
- Author(s)
  Yoshii, D.; Jin, X.; Yatabe, T.; Hasegawa, J.; Yamaguchi, K.; Mizuno, N.
- Journal Title
  
  Chem. Comm.
  
  Volume: 52 Pages: 14314-14317
- DOI
  10.1039/c6cc07846j
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-15H05797, KAKENHI-PLANNED-15H05805, KAKENHI-PROJECT-15H06143
[Journal Article] Highly Active and Robust Metalloporphyrin Catalysts for the Synthesis of Cyclic Carbonates from a Broad Range of Epoxides and Carbon Dioxide2016
- Author(s)
  C. Maeda, J. Shimonishi, R. Miyazaki, J. Hasegawa, and T. Ema
- Journal Title
  
  Chem. Eur. J.
  
  Volume: 22 Pages: 6556-6563
- DOI
  10.1002/chem.201600164
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-15H05805
[Journal Article] Facile Synthesis of 1,4-Bis(diaryl)-1,3-butadiynes Bearing Two Amino Moieties by Electrochemical Reaction-Site Switching, and Their Solvatochromic Fluorescence2016
- Author(s)
  N. Kamimoto, N. Nakamura, A. Tsutsumi, H. Mandai,K. Mistudo, A. Wakamiya, Y. Murata, J. Hasegawa, and S. Suga
- Journal Title
  
  Asian Journal of Orgnaic Chemistry
  
  Volume: 5 Pages: 373-379
- DOI
  10.1002/ajoc.201500502
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-15H05805, KAKENHI-PUBLICLY-26105740, KAKENHI-PROJECT-25410042, KAKENHI-PROJECT-25410117
[Journal Article] Electronic Polarization Effect of the Water Environment in Charge-Separated Donor-Acceptor Systems: An Effective Fragment Potential Model Study2016
- Author(s)
  K. Yanai, K. Ishimura, A. Nakayama, M. W. Schmidt, M. S. Gordon, and J. Hasegawa
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 120 Pages: 10273-10280
- DOI
  10.1021/acs.jpca.6b10552
- Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805, KAKENHI-PUBLICLY-16H00952, KAKENHI-PROJECT-15K06563, KAKENHI-PROJECT-16K00175
[Journal Article] Spin-blocking effect in CO and H2 binding reactions to molybdenocene and tungstenocene: A theoretical study on the reaction mechanism via minimum energy intersystem-crossing point2016
- Author(s)
  K. Watanabe, N. Nakatani, A. Nakayama, M. Higashi, and J. Hasegawa
- Journal Title
  
  Inorganic Chemistry
  
  Volume: 55 Pages: 8082-8090
- DOI
  10.1021/acs.inorgchem.6b01187
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-15H05805, KAKENHI-PUBLICLY-16H00778, KAKENHI-PUBLICLY-16H00952, KAKENHI-PROJECT-15K20832, KAKENHI-PROJECT-26810008, KAKENHI-PROJECT-15K06563
[Journal Article] Quaternary ammonium hydroxide as a metal-free and halogen-free catalyst for the synthesis of cyclic carbonates from epoxides and carbon dioxide2015
- Author(s)
  Tadashi Ema, Kazuki Fukuhara, Takashi Sakai, Masaki Ohbo, Fu-Quan Bai and Jun-ya Hasegawa
- Journal Title
  
  Catal. Sci. Technol.
  
  Volume: 印刷中
- DOI
  10.1039/c5cy00020c
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24350008
[Journal Article] Quantum Mechanical Molecular Interactions for Calculating the Excitation Energy in Molecular Environments: A First-Order Interacting Space Approach2015
- Author(s)
  J.Hasegawa, K.Yanai, K.Ishimura
- Journal Title
  
  ChemPhysChem
  
  Volume: 16 Pages: 305-311
- DOI
  10.1002/cphc.201402635
- NAID
  120005567735
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-24350008, KAKENHI-PROJECT-25730079
[Journal Article] meso-Dibenzoporphycene has a Large Bathochromic Shift and a Porphycene Framework with an Unusual Cis Tautomeric Form2015
- Author(s)
  Koji Oohora, Ayumu Ogawa, Tamaki Fukuda, Akira Onoda, Jun-ya Hasegawa, Takashi Hayashi
- Journal Title
  
  Angew, Chem. Int. Ed.
  
  Volume: 印刷中 Pages: 6227-6230
- DOI
  10.1002/anie.201501496
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24350008, KAKENHI-PROJECT-25810099, KAKENHI-PUBLICLY-26104523
[Journal Article] Theoretical Investigation on the Decaying Behavior of Exchange Interaction in Quinoid and Aromatic Molecular Wires2015
- Author(s)
  Shohei　Nishizawa, Jun-ya　Hasegawa,　Kenji Matsuda
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 印刷中 Pages: 5117-5121
- DOI
  10.1021/jp511608w
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24350008, KAKENHI-PLANNED-26107008
[Journal Article] Platinum- catalyzed reduction of amides with hydrosilanes bearing dual Si-H groups: a theoretical study of the reaction mechanism2015
- Author(s)
  Naoki Nakatani, Jun-ya Hasegawa, Yusuke Sunada, Hideo Nagashima
- Journal Title
  
  Dalton Trans.,
  
  Volume: 44 Pages: 19344-19356
- DOI
  10.1039/c5dt02767e
- NAID
  120005868256
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-15H05805, KAKENHI-PROJECT-15H03770, KAKENHI-PROJECT-24685011
[Journal Article] Excited States of a Significantly Ruffled Porphyrin: Computational Study on Structure-Induced Rapid Decay Mechanism via Intersystem Crossing2014
- Author(s)
  Fu-Quan Bai, Naoki Nakatani, Akira Nakayama and Jun-ya Hasegawa
- Journal Title
  
  J. Phys. Chem. A
  
  Volume: 118 Pages: 4184-4194
- DOI
  10.1021/jp502349h
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24350008
[Journal Article] Theoretical Investigation of the Dependence of Exchange Interaction on Dihedral Angle between Two Aromatic Rings in a Wire Unit2014
- Author(s)
  Shohei Nishizawa, Jun-ya Hasegawa, Kenji Matsuda
- Journal Title
  
  Chemistry Letters
  
  Volume: 43 Issue: 4 Pages: 530-532
- DOI
  10.1246/cl.131115
- NAID
  130004868071
- ISSN
  0366-7022, 1348-0715
- Language
  English
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24350008
[Journal Article] Investigation on CD Inversion at Visible Region Caused by a Tilt of the π-Conjugated Substituent: Theoretical and Experimental Approaches by Using an Asymmetric Framework of Diarylethene Annulated Isomer2014
- Author(s)
  Takashi Hirose, Yuki Inoue, Jun-ya Hasegawa, Kenji Higashiguchi, Kenji Matsuda
- Journal Title
  
  J. Phys. Chem. A
  
  Volume: 118 Pages: 1084-1093
- DOI
  10.1021/jp4122694
- Data Source
  KAKENHI-PROJECT-24350008
[Journal Article] Entropically Favored Adsorption of Cellulosic Molecules onto Carbon Materials through Hydrophobic Functionalities2014
- Author(s)
  Mizuho Yabushita、Hirokazu Kobayashi、Jun-ya Hasegawa、Kenji Hara、Atsushi Fukuoka
- Journal Title
  
  CHEMSUSCHEM
  
  Volume: Vol. 7 Pages: 1443-1450
- DOI
  10.1002/cssc.201301296
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23760734, KAKENHI-PROJECT-24350008, KAKENHI-PUBLICLY-25105703, KAKENHI-PLANNED-25106010
[Journal Article] Bifunctional Porphyrin Catalysts for the Synthesis of Cyclic Carbonates from Epoxides and CO2: Structural Optimization and Mechanistic Study2014
- Author(s)
  Tadashi Ema, Yuki Miyazaki, Junta Shimonishi, Chihiro Maeda, Jun-ya Hasegawa
- Journal Title
  
  J. Am. Chem. Soc.
  
  Volume: 136 Pages: 15270-15279
- DOI
  10.1021/ja507665a
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24350008
[Journal Article] Fragment-Based Configuration Interaction Wave Function to Calculate Environmental Effect on Excited States in Proteins and Solutions2013
- Author(s)
  J. Hasegawa
- Journal Title
  
  Chem. Phys. Lett.
  
  Volume: 571 Pages: 77-81
- DOI
  10.1016/j.cplett.2013.03.082
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24350008
[Journal Article] Theoretical Investigation of the β Value of the Phenylene and Phenylene Ethynylene Units by Evaluating Exchange Interaction between Organic Radicals2013
- Author(s)
  S. Nishizawa, J.-y. Hasegawa, K. Matsuda
- Journal Title
  
  Chem. Phys. Lett.
  
  Volume: 555 Pages: 187-190
- DOI
  10.1016/j.cplett.2012.10.092
- NAID
  120005122353
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24350008
[Journal Article] Theoretical Investigation of the β Value of the π-Conjugated Molecular Wires by Evaluating Exchange Interaction between Organic Radicals2013
- Author(s)
  Shohei Nishizawa, Jun-ya Hasegawa, Kenji Matsuda
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 117 Pages: 26280-26286
- DOI
  10.1021/jp407452p
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24350008
[Journal Article] Excitation Energy Transfer in GFP-X-CFP Model Peptides (X=amino acids) : directvs. through-bridge energy transfers2013
- Author(s)
  T. Kawatsu and J. Hasegawa, Intern. J.
- Journal Title
  
  Intern. J. Quantum Chem.
  
  Volume: (in press) Pages: 563-568
- DOI
  10.1002/qua.24027
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002, KAKENHI-PROJECT-24350008
[Journal Article] Color tuning in human cone visual pigments : the role of the protein environment2012
- Author(s)
  J.Hasegawa, K.Fujimoto, H.Nakatsuji
- Journal Title
  
  Progress in Theoretical Physics and Chemistry
  
  Volume: (印刷中)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] Color-tuning in Photo-functional Proteins: Electronic Structure and Interactions2012
- Author(s)
  J. Hasegawa, K. J. Fujimoto, H. Nakatsuji
- Journal Title
  
  Luminescence
  
  Volume: 27 Pages: 95-178
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24350008
[Journal Article] Chronological Change from Face-On to Edge-On Ordering of Zinc Tetraphenylporphyrin at Phenyloctane-HOPG Interface2012
- Author(s)
  J. Hasegawa, K. Higashiguchi, and K. Matsuda
- Journal Title
  
  Chem. Asian J.
  
  Volume: 7(2) Pages: 394-399
- DOI
  10.1002/asia.201100587
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002, KAKENHI-PROJECT-24350008
[Journal Article] Kinetic investigation on carbamate formation from the reaction of carbon dioxide with amino acids in homogeneous aqueous solution2012
- Author(s)
  Y. Yamamoto, J. Hasegawa, and Y. Ito
- Journal Title
  
  J. Phys. Org. Chem.
  
  Volume: 25(3) Pages: 239-247
- DOI
  10.1002/poc.1900
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002, KAKENHI-PROJECT-24350008
[Journal Article] Sequentially Coupled Hole-Electron Transfer Pathways for Bridge-Mediated Triplet Excitation Energy Transfer2012
- Author(s)
  T. Kawatsu and J. Hasegawa
- Journal Title
  
  J. Phys Chem. C
  
  Volume: 116 Pages: 23252-23256
- DOI
  10.1021/jp307482e
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24350008
[Journal Article] Singlet Excitation Energy Transfer Mediated by Local Exciton Bridges2012
- Author(s)
  T. Kawatsu, K. Matsuda, and J. Hasegawa
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 116 Pages: 13865-13876
- DOI
  10.1021/jp303878s
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24350008
[Journal Article] A Configuration Interaction Picture for a Molecular Environment Using Localized Molecular Orbitals: The Excited States of Retinal Proteins2012
- Author(s)
  J. Hasegawa, K. J. Fujimoto, and T. Kawatsu
- Journal Title
  
  J. Chem. Theory Comput.
  
  Volume: 8 Pages: 4452-4461
- DOI
  10.1021/ct300510b
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24350008, KAKENHI-PUBLICLY-23108709
[Journal Article] Color tuning in human cone visual pigments: the role of the protein environment2012
- Author(s)
  J. Hasegawa, K. Fujimoto, and H. Nakatsuji
- Journal Title
  
  Progress in Theoretical Chemistry and Physics
  
  Volume: 26 Pages: 489-502
- DOI
  10.1007/978-94-007-5297-9_28
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24350008
[Journal Article] Chemical-intuition based LMO transformation simplifies excited-state wave functions of peptides2011
- Author(s)
  J.Hasegawa, T.Kawatsu, K.Toyota, K.Matsuda
- Journal Title
  
  Chem.Phys.Letters
  
  Volume: (印刷中)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] Theoretical Study of the Excited States of the Photosynthetic Reaction Center in Photosystem II : Electronic Structure, Interactions, and Their Origin2011
- Author(s)
  Y. Kitagawa, K. Matsuda, and J. Hasegawa
- Journal Title
  
  Biophys.Chem.
  
  Volume: 159(2-3) Pages: 227-236
- DOI
  10.1016/j.bpc.2011.06.011
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] Theoretical study of the excited states and the redox potentials of unusually distorted β-trifluoromethylporphycene2011
- Author(s)
  J.Hasegawa, K.Matsuda
- Journal Title
  
  Theo.Chem.Acc.
  
  Volume: (印刷中)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] Color Tuning in Photofunctional Proteins2011
- Author(s)
  J. Hasegawa K. J. Fujimoto, and H. Nakatsuji
- Journal Title
  
  Chem Phys Chem
  
  Volume: 12(17) Pages: 3106-3115
- DOI
  10.1002/cphc.201100452
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002, KAKENHI-PUBLICLY-23108709
[Journal Article] Theoretical study of the excited states and the redox potentials of unusually distorted β-trifluoromethylporphycene2011
- Author(s)
  J. Hasegawa and K. Matsuda
- Journal Title
  
  Theoret.Chem.Acc.
  
  Volume: 130(2-3) Pages: 175-185
- DOI
  10.1007/s00214-011-0950-8
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] Bridge-Mediated Excitation Energy Transfer Pathways through Protein Media : a Slater Determinant-Based Electronic Coupling Calculation Combined with Localized Molecular Orbitals2011
- Author(s)
  T. Kawatsu, K. Matsuda, and J. Hasegawa
- Journal Title
  
  J. Phys Chem. A
  
  Volume: 115(39) Pages: 10814-10822
- DOI
  10.1021/jp2068792
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] Chemical-intuition based LMO transformation simplifies excited-state wave functions of peptides2011
- Author(s)
  J. Hasegawa, T. Kawatsu, K. Toyoya, and K. Matsuda
- Journal Title
  
  Chem. Phys. Letters
  
  Volume: 508(1-3) Pages: 171-176
- DOI
  10.1016/j.cplett.2011.04.028
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] Theoretical Investigation on the Origin of the CD Signal Reversal for the Closed-ring Isomer of Diarylethene with Peripherical π-Conjugated Substituents2010
- Author(s)
  T.Hirose, J.Hasegawa, K.Matsuda
- Journal Title
  
  Chem.Lett.
  
  Volume: 39 Pages: 516-517
- NAID
  10027180759
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] Theoretical Investigation on the Origin of the CD Signal Reveral for the Closed-ring Isomer of Diarylethene with Peripherical π-Conjugated Substituents2010
- Author(s)
  T.Hirose, J.Hasegawa, K.Matsuda
- Journal Title
  
  Chem.Lett. 39
  
  Pages: 517-517
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038026
[Journal Article] Generalizing the bra state in the symmetry-adapted cluster singles and doubles method and the second-order perturbation correction2010
- Author(s)
  Hasegawa, J., Obata, A., Matsuda, K.
- Journal Title
  
  Chem.phys.Letters 486
  
  Pages: 84-88
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038026
[Journal Article] Theoretical Investigation on the Origin of the CD Signal Reversal for the Closed-ring Isomer of Diarylethene with Peripherical π-Conjugated Substituents2010
- Author(s)
  T.Hirose, J.-y.Hasegawa, K.Matsuda
- Journal Title
  
  Chem.Lett. 39
  
  Pages: 516-517
- NAID
  10027180759
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19050009
[Journal Article] Excited States of Fluorescent Proteins, mKO and DsRed : Chromophore-protein Electrostatic Interaction Behind the Color Variations2010
- Author(s)
  Hasegawa, J., Ise, T., Fujimoto, K., Kikuchi, A., Fukumura, E., Miyawaki, A., Shiro, Y.
- Journal Title
  
  J.Phys.Chem.B 114
  
  Pages: 2971-2979
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] Theoretical Study of the Opsin Shift of Deprotonated Retinal Schiff Base in the Mstate of Bacteriorhodopsin2010
- Author(s)
  K. Fujimoto, K. Asai, and J. Hasegawa
- Journal Title
  
  Phys. Chem. Chem. Phys
  
  Volume: 12(40) Pages: 13107-13116
- DOI
  10.1039/c0cp00361a
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] Generalizing the bra state in the symmetry-adapted cluster singles and doubles method and the second-order perturbation correction2010
- Author(s)
  Hasegawa, J., Obata, A., Matsuda, K.
- Journal Title
  
  Chem.Phys.Letters 486
  
  Pages: 84-88
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] Excited States of Fluorescent Proteins, mKO and DsRed : Chromphore-protein Electrostatic Interaction Behind the Color Variations2010
- Author(s)
  Hasegawa, J., Ise, T., Fujimoto, K., Kikuchi, A., Fukumura, E., Miyawaki, A., Shiro, Y.
- Journal Title
  
  J.Phys.Chem.B 114
  
  Pages: 2971-2979
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038026
[Journal Article] Theoretical Investigation on the Origin of the CD Signal Reversal for the Closed-ring Isomer of Diarylethene with Peripherical .PI.-Conjugated Substituents2010
- Author(s)
  T. Hirose, J.-y. Hasegawa, and K. Matsuda
- Journal Title
  
  Chemistry Letters
  
  Volume: 39(5) Issue: 5 Pages: 516-517
- DOI
  10.1246/cl.2010.516
- NAID
  10027180759
- ISSN
  0366-7022, 1348-0715
- Language
  English
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] Quantum Chemistry of the Color Tuning Mechanism in the Photobiological System2010
- Author(s)
  長谷川淳也
- Journal Title
  
  Molecular Science
  
  Volume: 4(1) Issue: 1 Pages: A0031
- DOI
  10.3175/molsci.4.a0031
  10.3175/molsci.4.A0031
- NAID
  130000339436
- ISSN
  1881-8404
- Language
  Japanese
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] Theoretical Study of the Opsin Shift of Deprotonated Retinal Schiff Base in the M state of Bacteriorhodopsin2010
- Author(s)
  K.Fujimoto, K.Asai, J.Hasegawa
- Journal Title
  
  Phys.Chem.Chem.Phys.
  
  Volume: 12 Pages: 13107-13116
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] Excited States of Fluorescent Proteins, mKO and DsRed : Chromophore-protein Electrostatic Interaction Behind the Color Variations2010
- Author(s)
  J. Hasegawa, T. Ise, K. Fujimoto, A. Kikuchi, E. Fukumura, A. Miyawaki, and Y. Shiro
- Journal Title
  
  J. Phys Chem. B
  
  Volume: 114(8) Pages: 2971-2979
- DOI
  10.1021/jp9099573
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] Theoretical Investigation on the Origin of the CD Signal Reversal for the Closed-ring Isomer of Diarylethene with Peripherical π-Conjugated Substituents2010
- Author(s)
  T.Hirose, J.Hasegawa, K.Matsuda
- Journal Title
  
  Chem.Lett. 39
  
  Pages: 516-517
- NAID
  10027180759
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] Color tuning mechanism in human red, green, and blue cone visual pigments : SAC-CI theoretical study2009
- Author(s)
  Fujimoto, K., Hasegawa, J., nakatsuji, H.
- Journal Title
  
  Bull.Chem.Soc.Jpn 82
  
  Pages: 1140-1148
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038026
[Journal Article] 水素吸蔵体:分子間相互作用の解析と分子設計への展望2009
- Author(s)
  長谷川淳也
- Journal Title
  
  配位空間の化学―最新技術と応用―
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] Artificial Color Tuning of Firefly Luminescence : Theoretical Mutation by Tuning Electrostatic Interactions between Protein and Luciferin2009
- Author(s)
  N. Nakatani, J. Hasegawa, and H. Nakatsuji
- Journal Title
  
  Chem. Phys. Letters
  
  Volume: 469(1-3) Pages: 191-194
- DOI
  10.1016/j.cplett.2008.12.062
- NAID
  120001851021
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] Artificial Color Tuning of Firefly Luminescence : Theoretical Mutation by Tuning Electrostatic2009
- Author(s)
  N. Nakatani, J. Hasegawa, and H. Nakatsuji
- Journal Title
  
  Chem. Phys. Letters 469
  
  Pages: 191-194
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038026
[Journal Article] Artificial Color Tuning of Firefly Luminescence : Theoretical Mutation by Tuning Electrostatic2009
- Author(s)
  N. Nakatani, J. Hasegawa, and H. Nakatsuji
- Journal Title
  
  Cheni. Phys. Letters 469
  
  Pages: 191-194
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] A multi-core QM/MM approach for the geometry optimization of chromophore aggregate in proteins2009
- Author(s)
  Y. Kiyota, J. Hasegawa, K. Fujimoto, B. Swerts, and H. Nakatsuji
- Journal Title
  
  J. Comp. Chem
  
  Volume: 30(8) Pages: 1351-1359
- DOI
  10.1002/jcc.21156
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] Charge-polarized coordination space for H2 adsorption2009
- Author(s)
  J. Hasegawa, M. Higuchi, Y. Hijikata, and S. Kitagawa
- Journal Title
  
  Chem. Mater
  
  Volume: 21(9) Pages: 1829-1833
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] Charge-polarized coordination space for H2 adsorption2009
- Author(s)
  J. Hasegawa, M. Higuchi, Y. Hijikata, and S. Kitagawa
- Journal Title
  
  Chem. Mater.
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] Artificial Color Tuning of Firefly Luminescence : Theoretical Mutation by Tuning Electrostatic Interactions between Protein and Luciferin2009
- Author(s)
  Nakatani, N., Hasegawa, J., Nakatsuji, H.
- Journal Title
  
  Chem.phys.Letters 469
  
  Pages: 191-194
- NAID
  120001851021
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038026
[Journal Article] Color Tuning Mechanism of Human Red, Green, and Blue Cone Pigments: SAC-CI Theoretical Study2009
- Author(s)
  K. Fujimoto, J. Hasegawa, and H. Nakatsuji
- Journal Title
  
  Bulletin of the Chemical Society of Japan
  
  Volume: 82(9) Issue: 9 Pages: 1140-1148
- DOI
  10.1246/bcsj.82.1140
- NAID
  130004152657
- ISSN
  0009-2673, 1348-0634
- Language
  English
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] Circular Dichroism and Absorption Spectroscopy for Three-Membered Ring Compounds Using Symmetry-Adapted Cluster-Configuration Interaction (SAC-CI) Method2009
- Author(s)
  T. Miyahara, J. Hasegawa, and H. Nakatsuji
- Journal Title
  
  Bulletin of the Chemical Society of Japan
  
  Volume: 82(10) Issue: 10 Pages: 1215-1226
- DOI
  10.1246/bcsj.82.1215
- NAID
  130004058916
- ISSN
  0009-2673, 1348-0634
- Language
  English
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] Photocyclization of 2, 4, 6-Triethylbenzophenones in the Solid State2009
- Author(s)
  Y. Ito, H. Takahashi, J. Hasegawa, and N. J. Turro
- Journal Title
  
  Tetrahedron 65
  
  Pages: 677-689
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] Charge-polarized coordination space for H_2 adsorption2009
- Author(s)
  Hasegawa, J., Higuchi, M., Hijikata, Y., Kitagawa, S.
- Journal Title
  
  Chem.Mater. 21
  
  Pages: 1829-1833
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] Photocyclization of 2,4,6-Triethylbenzophenones in the Solid State2009
- Author(s)
  Ito, Y., Takahashi, H., Hasegawa, J., Turro, N.J.
- Journal Title
  
  Tetrahedron 65
  
  Pages: 677-689
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] 分子間相互作用の解析と分子設計への展望2009
- Author(s)
  長谷川淳也
- Journal Title
  
  配位空間の化学-最新技術と応用-
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] Circular Dichroism and Absorption Spectroscopy for Three-membered Ring Compounds Using Symmetry-adapted Cluster-Configuration Interaction (SAC-CI) Method2009
- Author(s)
  Miyahara, T., Hasegawa, J., Nakatsuji, H.
- Journal Title
  
  Bull.Chem.Soc.Jpn. 82
  
  Pages: 1215-1226
- NAID
  10025864312
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] A multi-core QM/MM approach for the geometry optimization of chromophore aggregate in proteins2009
- Author(s)
  Kiyota, Y., Hasegawa, J., Fujimoto, K., Swerts, B., Nakatsuji, H
- Journal Title
  
  J.Comp.Chem. 30
  
  Pages: 1351-1359
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] Photocyclization of 2, 4, 6-Triethylbenzophenones in the Solid State2009
- Author(s)
  Y. Ito, H. Takahashi, J. Hasegawa, and .N . J. Turro
- Journal Title
  
  Tetrahedron 65
  
  Pages: 677-689
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038026
[Journal Article] A multi-core QM/MM approach for the geometry optimization of chromo phore aggregate in proteins2009
- Author(s)
  Kiyota, Y., Hasegawa, J., Fujimoto, K., Swerts, B., Nakatsuji, H
- Journal Title
  
  J.Comp.Chem. 30
  
  Pages: 1351-1359
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038026
[Journal Article] Circular Dichrosim and Absorption Spectroscopy for Three-membered Ring Compounds Using Symmetry-adapted Cluster-Configuration Interaction (SAC-CI) Method2009
- Author(s)
  Miyahara, T., Hasegawa, J., Nakatsuji, H.
- Journal Title
  
  Bull.Chem.Soc.Jpn. 82
  
  Pages: 1215-1226
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038026
[Journal Article] Exploring Photo-Biology and Bio-Spectroscopy with the SAC-CI (Symmetry-Adapted Cluster-Configuration2009
- Author(s)
  長谷川淳也、中辻博
- Journal Title
  
  Radiation Induced Molecular Phenomena in Nucleic Acid : A Comprehensive Theoretical and
  
  Pages: 93-123
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038026
[Journal Article] 分子間相互作用の解析と分子設計への展望2009
- Author(s)
  長谷川淳也
- Journal Title
  
  配位空間の化学-最新技術と応用-
- Data Source
  KAKENHI-PROJECT-20038026
[Journal Article] Photocyclization of 2, 4, 6-Triethylbenzophenones in the Solid State2009
- Author(s)
  Y. Ito, H. Takahashi, J. Hasegawa, and N. J. Turro
- Journal Title
  
  Tetrahedron
  
  Volume: 65(3) Pages: 677-689
- DOI
  10.1016/j.tet.2008.10.105
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] A multi-core QM/MM approach for the geometry optimization of chromophore aggregate in protein2009
- Author(s)
  Y. Kiyota, J. Hasegawa, K. Fujimotn. B. Swerts. and H.
- Journal Title
  
  J Comp. Chem
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038026
[Journal Article] A multi-core QM/MM approach for the geometry optimization of chromophore aggregate in protein2009
- Author(s)
  Y. Kiyota, J. Hasegawa, K. Fujimoto, B. Swerts, and H.
- Journal Title
  
  J. Comp. Chem.
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] Artificial Color Tuning of Firefly Luminescence : Theoretical Mutation by Tuning Electrostatic Interactions between Protein and Luciferin2009
- Author(s)
  Nakatani, N., Hasegawa, J., Nakatsuji, H.
- Journal Title
  
  Chem.Phys.Letters 469
  
  Pages: 191-194
- NAID
  120001851021
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] Charge-polarized coordination space for H_2 adsorption2009
- Author(s)
  Hasegawa, J., Higuchi, M., Hijikata, Y., Kitagawa, S.
- Journal Title
  
  Chem.Mater. 21
  
  Pages: 1829-1833
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038026
[Journal Article] Photocyclization of 2,4,6-Triethylbenzophenones in the Solid State2009
- Author(s)
  Ito, Y., Takahashi, H., Hasegawa, J., Turro, N.J.
- Journal Title
  
  Tetrahedron 65
  
  Pages: 677-689
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038026
[Journal Article] Charge-polarized coordination space for H2 adsorption2009
- Author(s)
  J. Hasegawa, M. Higuchi, Y. Hijikata, and S. Kitagawa
- Journal Title
  
  Chem. Mater
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038026
[Journal Article] Color tuning mechanism in human red, green, and blue cone visual pigments : SAC-CI theoretical study2009
- Author(s)
  Fujimoto, K., Hasegawa, J., Nakatsuji, H.
- Journal Title
  
  Bull.Chem.Soc.Jpn 82
  
  Pages: 1140-1148
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Journal Article] A Review of the SAC-CI Applications to the Excited States of Porphyrin Compounds: How Q-band absorptions are controlled?2008
- Author(s)
  J. Hasegawa and H. Nakatsuji
- Journal Title
  
  Computing Lett. (印刷中)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19029023
[Journal Article] 紅色細菌光合成反応中心における励起状態と電子移動の量子化学2008
- Author(s)
  長谷川淳也
- Journal Title
  
  光合成研究 18
  
  Pages: 53-59
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] Origin of color tuning in human red, green, and blue cone visual pigments : SAC-CI and QM/MM study2008
- Author(s)
  K. Fujimoto, J. Hasegawa, and H. Nakatsuji
- Journal Title
  
  Chem. Phys. Letters 462 (4-6)
  
  Pages: 318-320
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] 光合成・視覚・生物発光の初期過程 : SAC-CI法による研究2008
- Author(s)
  長谷川淳也、中辻博
- Journal Title
  
  固体物理 43
  
  Pages: 147-155
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] Exploring Photo-Biology and Bio-Spectroscopy with the SAC-CI (Symmetry-Adapted Cluster-Configuration Interaction) Method2008
- Author(s)
  J. Hasegawa and H. Nakatsuji
- Journal Title
  
  Radiation Induced Molecular Phenomena in Nucleic Acid: A Comprehensive Theoretical and Experimental Analysis (印刷中)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19029023
[Journal Article] 光合成・視覚・生物発光の初期過程 : SAC-CI法による研究2008
- Author(s)
  長谷川淳也、中辻博
- Journal Title
  
  固体物理 43
  
  Pages: 147-155
- Data Source
  KAKENHI-PROJECT-20038026
[Journal Article] Exploring Photo-Biology and Bio-Spectroscopy with the SAC-CI (Symmetry-Adapted Cluster-Configuration Interaction) Method2008
- Author(s)
  J. Hasegawa and H. Nakatsuji
- Journal Title
  
  Radiation Induced Molecular Phenomena in Nucleic Acid: A Comprehensive Theoretical and Experimental Analysis (印刷中)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18033029
[Journal Article] Origin of color tuning in human red, green, and blue cone visual pigments : SAC-CI and QM/MM study2008
- Author(s)
  K. Fujimoto, J. Hasegawa, and H. Nakatsuji
- Journal Title
  
  Chem. Phys. Letters 462
  
  Pages: 318-320
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038026
[Journal Article] Exploring Photo-Biology and Bio-Spectroscopy with the SAC-CI (Symmetry-Adapted Cluster-Configuration Interaction) Method2008
- Author(s)
  J. Hasegawa and H. Nakatsuji
- Journal Title
  
  Radiation Induced Molecular Phenomena in Nucleic Acid: A Comprehensive Theoretical and Experimental Analysis (印刷中)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] Origin of color tuning in human red, green, and blue cone visual pigments: SAC-CI and QM/MM study2008
- Author(s)
  K. Fujimoto, J. Hasegawa, and H. Nakatsuji
- Journal Title
  
  Chem. Phys. Letters 462
  
  Pages: 318-320
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] Spectral Tuning Mechanism in Photofunctional Proteins : A SAC-CI Theoretical Study2008
- Author(s)
  J. Hasegawa, K. Fujimoto, N. Nakatani, H. NakatsUki
- Journal Title
  
  Frontiers of Computational Science 2008 1
  
  Pages: 1-8
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038026
[Journal Article] A Review of the SAC-CI Applications to the Excited States of Porphyrin Compounds: How Q-band absorptions are controlled?2008
- Author(s)
  J. Hasegawa and H. Nakatsuji
- Journal Title
  
  Computing Lett. (印刷中)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18033029
[Journal Article] Spectral Tuning Mechanism in Photofunctional Proteins : ASAC-CI Theoretical Study2008
- Author(s)
  L Hasegawa, K. Fujimoto, Nakatani, H. Nakatsuji
- Journal Title
  
  Frontiers of Computational Science 2008 1
  
  Pages: 1-8
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] A Review of the SAC-CI Applications to the Excited States of Porohyrin Compounds: How Q-band absorptions are controlled?2008
- Author(s)
  J. Hasegawa and H. Nakatsuji
- Journal Title
  
  Computing Lett. (印刷中)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] 紅色細菌光合成反応中心における励起状態と電子移動の量子化学2008
- Author(s)
  長谷川淳也
- Journal Title
  
  光合成研究 18
  
  Pages: 53-59
- Data Source
  KAKENHI-PROJECT-20038026
[Journal Article] Exploring Photo-Biology and Bio-Spectroscopy with the SAC-CI (Symmetry-Adapted Cluster-Configuration2008
- Author(s)
  長谷川淳也、中辻博
- Journal Title
  
  Radiation Induced Molecular Phenomena in Nucleic Acid : A Comprehensive Theoretical and
  
  Pages: 93-123
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] SAC-CI Theoretical Study on the Excited States of Lumiflavin : Structure, Excitation Spectrum, and Solvation Effect2007
- Author(s)
  J.Hasegawa, S.Bureekaew, H.Nakatsuji
- Journal Title
  
  J.Photochem.Photobiology A : Chemistry (印刷中)
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] Red Light in Chemiluminescence and Yellow-green Light in Bioluminescence: Color-tuning Mechanism of Firefly, Photinus pyralis, studied by the SAC-CI method2007
- Author(s)
  N. Nakatani, J. Hasegawa, H Nakatsuji
- Journal Title
  
  J. Am. Chem. Soc. 129
  
  Pages: 8756-8765
- Data Source
  KAKENHI-PROJECT-14GS0217
[Journal Article] Excited and ionized states of ozone studied by the MEG (multi-exponentially generated)/EX(excited)-MEG method2007
- Author(s)
  Y. Ohtsuka, J. Hasegawa, and H. Nakatsuji
- Journal Title
  
  Chem. Phys. 332
  
  Pages: 262-270
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19029023
[Journal Article] Excited States of GFP Chromophore and Active Site Studied by the SAC-CI method: Effect of Protein-environment and Mutations2007
- Author(s)
  J. Hasegawa, K. Fujimoto, B. Swerts, T. Miyahara, and H. Nakatsuji
- Journal Title
  
  J. Comp. Chem 28
  
  Pages: 2443-2452
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18033029
[Journal Article] Excited and ionized states of ozone studied by the MEG (multi-exponentially generated) / EX(excited)-MEG method2007
- Author(s)
  Y.Ohtsuka, J.Hasegawa, H.Nakatsuji
- Journal Title
  
  Chemical Physics (印刷中)
- Data Source
  KAKENHI-PROJECT-18033029
[Journal Article] Excited States of GFP Chromophore and Active Site Studied by the SAC-CI method: Effect of Protein-environment and Mutations2007
- Author(s)
  J. Hasegawa, K. Fujimoto, B. Swerts, T. Miyahara, and H. Nakatsuji
- Journal Title
  
  J. Comp. Chem. 28
  
  Pages: 2443-2452
- Data Source
  KAKENHI-PROJECT-14GS0217
[Journal Article] Red Light in Chemiluminescence and Yellow-green Light in Bioluminescence : Color-tuning Mechanism of Firefly, Photinus pyralis, studied by the SAC-CI method2007
- Author(s)
  N. Nakatani, J. Hasegawa, and H. Nakatsuji, J
- Journal Title
  
  Am. Chem. Soc 129
  
  Pages: 8756-8765
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] Excited States of GFP Chromophore and Active Site Studied by the SAC-CI method: Effect of Protein-environment and Mutations2007
- Author(s)
  J. Hasegawa, K. Fujimoto, B. Swerts, T. Miyahara, and H. Nakatsuji
- Journal Title
  
  J. Comp. Chem 28
  
  Pages: 2443-2452
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] SAC-CI Theoretical Study on the Excited States of Lumiflavin: Structure, Excitation Spectrum, and Solvation Effect2007
- Author(s)
  J. Hasegawa, S. Bureekaew, and H. Nakatsuji
- Journal Title
  
  J. Photochem.Photobiology A: Chemistry 189
  
  Pages: 205-210
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] SAC-CI Theoretical Study on the Excited States of Lumiflavin: Structure, Excitation Spectrum, and Solvation Effect2007
- Author(s)
  J. Hasegawa, S. Bureekaew, and H. Nakatsuji
- Journal Title
  
  J. Photochem. Photobiology A: Chemistry 189
  
  Pages: 205-210
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19029023
[Journal Article] Excited and ionized states of ozone studied by the MEG (multi-exponentially generated)/EX (excited)-MEG method2007
- Author(s)
  Y. Ohtsuka, J. Hasegawa, and H. Nakatsuji
- Journal Title
  
  Chem. Phys. 322
  
  Pages: 262-270
- Data Source
  KAKENHI-PROJECT-14GS0217
[Journal Article] Excited and ionized states of ozone studied by the MEG (multi-exponentially generated) / EX (excited)-MEG method2007
- Author(s)
  Y. Ohtsuka, J. Hasegawa, and H. Nakatsuji
- Journal Title
  
  Chem. Phys. 332
  
  Pages: 262-270
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18033029
[Journal Article] Excited States of GFP Chromophore and Active Site Studied by the SAC-CI method : Effect of Protein-environment and Mutations2007
- Author(s)
  J.Hasegawa, K.Fujimoto, B.Swerts, T.Miyahara, H.Nakatsuji
- Journal Title
  
  J.Computational Chemistry (印刷中)
- Data Source
  KAKENHI-PROJECT-18033029
[Journal Article] Red Light in Chemiluminescence and Yellow-green Light in Bioluminescence: Color-tuning Mechanism of Firefly, Photinus pyralis, studied by the SAC-CI2007
- Author(s)
  Naoki Nakatani, Jun-ya Hasegawa, Hiroshi Nakatsuji
- Journal Title
  
  J. Am. Chem. Soc. 129
  
  Pages: 8756-8765
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19029023
[Journal Article] Red Light in Chemiluminescence and Yellow-green Light in Bioluminescence: Color-tuning Mechanism of Firefly, Photinus pyralis, studied by the SAC-CI2007
- Author(s)
  Naoki Nakatani, Jun-ya Hasegawa, Hiroshi Nakatsuji
- Journal Title
  
  J. Am. Chem. Soc. 129
  
  Pages: 8756-8765
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] SAC-CI Theoretical Study on the Excited States of Lumiflavin : Structure, Excitation Spectrum, and Solvation Effect2007
- Author(s)
  J Hasegawa, S.Bureekaew, H.Nakatsuji
- Journal Title
  
  J.Photochem.Photobiology A : Chemistry (印刷中)
- Data Source
  KAKENHI-PROJECT-18033029
[Journal Article] Excited and ionized states of ozone studied by the MEG (multi-exponentially generated)/EX(excited)-MEG method2007
- Author(s)
  Y.Ohtsuka, J.Hasegawa, H.Nakatsuji
- Journal Title
  
  Chemical Physics (印刷中)
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] Theoretical Studies on the Color-Tuning Mechanism in Retinal Proteins2007
- Author(s)
  K.Fujimoto, S.Hayashi, J.Hasegawa, H.Nakatsuji
- Journal Title
  
  J.Chem.Theory Comput. 3
  
  Pages: 605-618
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] Excited States of GFP Chromophore and Active Site Studied by the SAC-CI method : Effect of Protein-environment and Mutation2007
- Author(s)
  J. Hasegawa, K. Fujimoto, B. Swerts, T. Miyahara, and H. Nakatsuji
- Journal Title
  
  J. Comp. Chem 28
  
  Pages: 2443-2452
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] Theoretical Studies on the Color-Tuning Mechanism in Retinal Proteins2007
- Author(s)
  K. Fujimoto, S. Hayashi, J. Hasegawa, and H. Nakatsuji
- Journal Title
  
  J. Chem. Theory Comput 3
  
  Pages: 605-618
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] Theoretical Studies on the Color-Tuning Mechanism in Retinal Proteins2007
- Author(s)
  K. Fujimoto, S. Hayashi, J. Hasegawa, and H. Nakatsuji
- Journal Title
  
  J. Chem. Theory Comput 3
  
  Pages: 605-618
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18033029
[Journal Article] Excited States of GFP Chromophore and Active Site Studied by the SAC-CI method: Effect of Protein-environment and Mutations2007
- Author(s)
  J. Hasegawa, K. Fujimoto, B. Swerts, T. Miyahara, and H. Nakatsuji
- Journal Title
  
  J. Comp. Chem 28
  
  Pages: 2443-2452
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19029023
[Journal Article] SAC-CI Theoretical Study on the Excited States of Lumiflavin: Structure, Excitation Spectrum, and Solvation Effect2007
- Author(s)
  J. Hasegawa, S. Bureekaew, and H. Nakatsuji
- Journal Title
  
  J. Photochem. Photobiology A: Chemistry 189
  
  Pages: 205-210
- Data Source
  KAKENHI-PROJECT-14GS0217
[Journal Article] Theoretical Studies on the Color-Tuning Mechanism in Retinal Proteins2007
- Author(s)
  K. Fujimoto, S. Hayashi, J. Hasegawa, and H. Nakatsuji
- Journal Title
  
  J. Chem. Theory Comput. 3
  
  Pages: 605-618
- Data Source
  KAKENHI-PROJECT-14GS0217
[Journal Article] Theoretical Studies on the Color-Tuning Mechanism in Retinal Proteins2007
- Author(s)
  K. Fujimoto, S. Hayashi, J. Hasegawa, and H. Nakatsuji
- Journal Title
  
  J. Chem. Theory Comput 3
  
  Pages: 605-618
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19029023
[Journal Article] SAC-CI Theoretical Study on the Excited States of Lumiflavin: Structure, Excitation Spectrum, and Solvation Effect2007
- Author(s)
  J. Hasegawa, S. Bureekaew, and H. Nakatsuji
- Journal Title
  
  J. Photochem. Photobiology A: Chemistry 189
  
  Pages: 205-210
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18033029
[Journal Article] Excited and ionized states of ozone studied by the MEG (multi-exponentially generated)/EX (excited)-MEG method2007
- Author(s)
  Y. Ohtsuka, J. Hasegawa, and H. Nakatsuji
- Journal Title
  
  Chem. Phys. 332
  
  Pages: 262-270
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] Theoretical Studies on the Color-Tuning Mechanism in Retinal Proteins2007
- Author(s)
  K.Fujimoto, S.Hayashi, J.Hasegawa, H.Nakatsuji
- Journal Title
  
  J.Chem.Theory Comput. 3
  
  Pages: 605-618
- Data Source
  KAKENHI-PROJECT-18033029
[Journal Article] Excited States of GFP Chromophore and Active Site Studied by the SAC-CI method : Effect of Protein-environment and Mutations2007
- Author(s)
  J.Hasegawa, K.Fujimoto, B.Swerts, T.Miyahara, H.Nakatsuji
- Journal Title
  
  J.Computational Chemistry (印刷中)
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] Red Light in Chemiluminescence and Yellow-green Light in Bioluminescence: Color-tuning Mechanism of Firefly, Photinus pyralis, studied by the SAC-CI2007
- Author(s)
  Naoki Nakatani, Jun-ya Hasegawa, Hiroshi Nakatsuji
- Journal Title
  
  J. Am. Chem. Soc. 129
  
  Pages: 8756-8765
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18033029
[Journal Article] Electronic Circular Dichroism Spectrum of Uridine Studied by the SAC-CI method2006
- Author(s)
  S. Bureekaew, J. Hasegawa, H. Nakatsuji
- Journal Title
  
  Chem. Phys. Lett. 425
  
  Pages: 367-371
- Data Source
  KAKENHI-PROJECT-14GS0217
[Journal Article] On the reversible O2 binding of the Fe-porphyrin complex2006
- Author(s)
  H. Nakashima, J. Hasegawa, H. Nakatsuji
- Journal Title
  
  J. Comp. Chem. 27
  
  Pages: 426-433
- Data Source
  KAKENHI-PROJECT-14GS0217
[Journal Article] On the color-tuning mechanism of Human-Blue visual pigment : SAC-CI and QM/MM study2006
- Author(s)
  K.Fujimoto, J.Hasegawa, S.Hayashi, H.Nakatsuji
- Journal Title
  
  Chem.Phys.Lett. 423
  
  Pages: 252-256
- Data Source
  KAKENHI-PROJECT-18033029
[Journal Article] On the Reversible o_2 birding of the Fe-porphyrin complex2006
- Author(s)
  H.Nakashima, J.Hasegawa, H.Nakatsuji
- Journal Title
  
  J. Comp. Chem. 27
  
  Pages: 426-433
- Data Source
  KAKENHI-PROJECT-14GS0217
[Journal Article] On the reversible O2 binding of the Fe-porphyrin complex2006
- Author(s)
  H.Nakashima, J.Hasegawa, H.Nakatsuji
- Journal Title
  
  J.Comp.Chem. 27
  
  Pages: 426-433
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] On the reversible O2 binding of the Fe-porphyrin complex2006
- Author(s)
  H.Nakashima, J.Hasegawa, H.Nakatsuji
- Journal Title
  
  J.Comp.Chem. 27
  
  Pages: 426-433
- Data Source
  KAKENHI-PROJECT-18033029
[Journal Article] On the O2 Binding of Fe-Porphyrin, Fe-Porphycene and Fe-Corphycene complexes2006
- Author(s)
  H.Nakashima, J.Hasegawa, H.Nakatsuji
- Journal Title
  
  J.Computational Chemistry (In press)
- Data Source
  KAKENHI-PROJECT-17036030
[Journal Article] On the color-tuning mechanism of Human-Blue visual pigment: SAC-CI and QM/MM study2006
- Author(s)
  K. Fujimoto, J. Hasegawa, S. Hayashi, H. Nakatsuji
- Journal Title
  
  Chem. Phys. Lett. 432
  
  Pages: 252-256
- Data Source
  KAKENHI-PROJECT-14GS0217
[Journal Article] On the reversible O2 birding of the Fe-porphyrin complex2006
- Author(s)
  H. Nakashima, J. Hasegawa, and H. Nakatsuji
- Journal Title
  
  J. Comp. Chem 27
  
  Pages: 426-433
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] Reversible Binding of Dioxygen to Fe-porphyrin Complex2006
- Author(s)
  H.Nakashima, J.Hasegawa, H.Nakatsuji
- Journal Title
  
  J.Computational Chemistry (In press)
- Data Source
  KAKENHI-PROJECT-17036030
[Journal Article] MEG(multi-exponentially generated)/EX(excited)-MEG method applied to the potential energy curves of small molecules2006
- Author(s)
  Yuhki Ohtsuka, Jun-ya Hasegawa, Hiroshi Nakatsuji
- Journal Title
  
  Chemical Physics Letters (In press)
- Data Source
  KAKENHI-PROJECT-17036030
[Journal Article] Electronic Circular Dichroism Spectrum of Uridine Studied by the SAC-CI method2006
- Author(s)
  S.Bureekaew, J.Hasegawa, H.Nakatsuji
- Journal Title
  
  Chem.Phys.Lett. 425
  
  Pages: 367-37
- Data Source
  KAKENHI-PROJECT-18033029
[Journal Article] Electronic Circular Dichroism Spectrum of Uridine Studied by the SAC-CI method2006
- Author(s)
  S.Bureekaew, J.Hasegawa, H.Nakatsuji
- Journal Title
  
  Chem.Phys.Lett. 425
  
  Pages: 367-37
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] Electronic Circular Dichroism Spectrum of Uridine Studied by the SAC-CI method2006
- Author(s)
  S.Bureekaew, J.Hasegawa, H.Nakatsuji
- Journal Title
  
  Chemical Physics Letters (In press)
- Data Source
  KAKENHI-PROJECT-17036030
[Journal Article] On the color-tuning mechanism of Human-Blue visual pigment : SAC-CI and QM/MM study2006
- Author(s)
  K.Fujimoto, J.Hasegawa, S.Hayashi, H.Nakatsuji
- Journal Title
  
  Chem.Phys.Lett. 423
  
  Pages: 252-256
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] On the O2 binding of Fe-porphyrin, Fe-porphycene, and Fe-corrphycene complexes2006
- Author(s)
  H.Nakashima, J.Hasegawa, H.Nakatsuji
- Journal Title
  
  J.Comp.Chem. 27
  
  Pages: 1363-1372
- Data Source
  KAKENHI-PROJECT-18033029
[Journal Article] On the O2 binding of Fe-porphyrin, Fe-porphycene, and Fe-corrphycene complexes2006
- Author(s)
  H.Nakashima, J.Hasegawa, H.Nakatsuji
- Journal Title
  
  J.Comp.Chem. 27
  
  Pages: 1363-1372
- Data Source
  KAKENHI-PROJECT-18770130
[Journal Article] On the O2 binding of Fe-porphyrin, Fe-porphycene, and Fe-corrphycene complexes2006
- Author(s)
  H. Nakashima, J. Hasegawa, H. Nakatsuji
- Journal Title
  
  J. Comp. Chem. 27
  
  Pages: 1363-1372
- Data Source
  KAKENHI-PROJECT-14GS0217
[Journal Article] Excited States of Porphyrin Isomers and Porphycene Derivatives : A SAC-CI Study2005
- Author(s)
  J.Hasegawa, K.Takata, T.Miyahara, S.Neya, M.J.Frisch, H.Nakatsuji
- Journal Title
  
  J.Phys.Chem.A. (in press)
- Data Source
  KAKENHI-PROJECT-14GS0217
[Journal Article] On the O2 Binding of Fe-Porphyrin,Fe-Porphycene and Fe-Corphycene complexes2005
- Author(s)
  H.Nakashima, J.Hasegawa, H.Nakatsuji
- Journal Title
  
  J.Comp.Chem. (in press)
- Data Source
  KAKENHI-PROJECT-14GS0217
[Journal Article] Structure of Phytochromobilin in the Pr and Pfr forms : SAC-CI theoretical study2005
- Author(s)
  J.Hasegawa, M.Issiki, K.Fujimoto, H.Nakatsuji
- Journal Title
  
  Chem.Phys.Lett. 410
  
  Pages: 90-93
- Data Source
  KAKENHI-PROJECT-14GS0217
[Journal Article] Mechanism of color tuning in retinal proteins : SAC-CI and QM/MM study2005
- Author(s)
  K.Fujimoto, J.Hasegawa, S.Hayashi, S.Kato, H.Nakatsuji
- Journal Title
  
  Chem.Phys.Lett. (in press)
- Data Source
  KAKENHI-PROJECT-14GS0217
[Journal Article] Excited States of Porphyrin Isomers and Porphycene Derivatives : A SAC-CI Study2005
- Author(s)
  J.Hasegawa, K.Takata, T.Miyahara, S.Neya, M.J.Frisch, H.Nakatsuji
- Journal Title
  
  J.Phys.Chem.A, 109
  
  Pages: 3187-3200
- Data Source
  KAKENHI-PROJECT-17036030
[Journal Article] Mechanism of Color-Tuning in Retinal Proteins : SAC-CI and QM/MM Study2005
- Author(s)
  K.Fujimoto, J.Hasegawa, S.Hayashi, S.Kato, H.Nakatsuji
- Journal Title
  
  Chem. Phys. Lett. 414
  
  Pages: 239-242
- Data Source
  KAKENHI-PROJECT-14GS0217
[Journal Article] Excited States and Electron-transfer Mechanism in the Photosynthetic Reaction Center of Rhodobactor sphaeroides : SAC-CI Theoretical Study2005
- Author(s)
  J.Hasegawa, H.Nakatsuji
- Journal Title
  
  Chemistry Letters 34
  
  Pages: 1242-1243
- NAID
  130004424023
- Data Source
  KAKENHI-PROJECT-14GS0217
[Journal Article] Aza-substitution Effect on the Q-band Excitations of Free-base Porphin,Chlorin,and Bacteriochlorin : SAC=CI Theoretical Study2005
- Author(s)
  J.Hasegawa, T.Kimura, H.Nakatsuji
- Journal Title
  
  J.Por.Phtha. 9
  
  Pages: 305-305
- Data Source
  KAKENHI-PROJECT-14GS0217
[Journal Article] Mechanism of Color-Tuning in Retinal Proteins : SAC-CI and QM/MM Study2005
- Author(s)
  K.Fujimoto, J.Hasegawa, S.Hayashi, S.Kato, H.Nakatsuji
- Journal Title
  
  Chemical Physics Letters 414
  
  Pages: 239-242
- Data Source
  KAKENHI-PROJECT-17036030
[Journal Article] Mechanism and Excited States and Electron Transfer Mechanism in the Photosynthetic Reaction Center of Rhodobactor Sphaeroides : SAC-CI Theoretical Study2005
- Author(s)
  J.Hasegawa, H.Nakatsuji
- Journal Title
  
  Chem.Letters 34
  
  Pages: 1242-1243
- Data Source
  KAKENHI-PROJECT-17036030
[Journal Article] Electronic Circular Dichroism Spectrum of Uridine Studied by the SAC-CI method2005
- Author(s)
  Sareeya Bureekaew, Jun-ya Hasegawa, Hiroshi Nakatsuji
- Journal Title
  
  Chem.Phys.Letters (in press)
- Data Source
  KAKENHI-PROJECT-14GS0217
[Journal Article] Generalization of the Projection Space Improves the SAC-SD'symmetry-adapted cluster-singles and doubles) Method in Bond-Breaking Systems2005
- Author(s)
  J.Hasegawa, H.Nakatsuji
- Journal Title
  
  Chem. Letters 34
  
  Pages: 1356-1357
- Data Source
  KAKENHI-PROJECT-14GS0217
[Journal Article] Generalization of the Projection Space Improves the SAC-SD (symmetry-adapted cluster - singles and doubles) Method in Bond-Breaking Systems2005
- Author(s)
  J.Hasegawa, Hiroshi Nakatsuji
- Journal Title
  
  Chem.Letters 34
  
  Pages: 1356-1357
- NAID
  10019351832
- Data Source
  KAKENHI-PROJECT-17036030
[Journal Article] Aza-substitution effect on the Q-band excitations of free-base porphin, chlorin, and bacteriochlorin : SAC-CI theoretical study2005
- Author(s)
  J.Hasegawa, T.Kimura, H.Nakatsuji
- Journal Title
  
  Journal of Porphyrins and Phthalocyanines (in press)
- Data Source
  KAKENHI-PROJECT-14GS0217
[Journal Article] Excited States of Porphyrin Isomers and Porphycene Derivatives : A SAC-CI Study2005
- Author(s)
  J.Hasegawa, K.Takata, T.Miyahara, S.Neya, M.J.Frisck, H.Nakatsuji
- Journal Title
  
  J.Phys.Chem.S 109
  
  Pages: 3187-3200
- Data Source
  KAKENHI-PROJECT-14GS0217
[Journal Article] Aza-substitution Effect on the Q-band Excitations of Free-base Porphin, Chlorin, and Bacteriochlorin : SAC-CI Theoretical Study2005
- Author(s)
  J.Hasegawa, T.Kimura, H.Nakatsuji
- Journal Title
  
  J.Por.Phtha. 9
  
  Pages: 305-305
- Data Source
  KAKENHI-PROJECT-17036030
[Journal Article] SAC-CI Theoretical Study on the Structure of Phytochromobilin in the Pr and Pfr Forms2005
- Author(s)
  J.Hasegawa, M.Isshiki, K.Fujimoto, H.Nakatsuji
- Journal Title
  
  Chem.Phys.Lett. 410
  
  Pages: 90-93
- Data Source
  KAKENHI-PROJECT-17036030
[Journal Article] Color tuning in human cone visual pigments
- Author(s)
  J. Hasegawa, K. Fujimoto, and H. Nakatsuji
- Journal Title
  
  Progress in Theoretical Physics and Chemistry
  
  Volume: (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] NH3-SCR反応に用いられるFe/H2SO4修飾CeO2触媒のアルカリ金属被毒耐性メカニズムに関する理論的研究2022
- Author(s)
  大城海, 高敏, 長谷川淳也
- Organizer
  化学系学協会北海道支部2022年冬季研究発表
- Data Source
  KAKENHI-PROJECT-20H02685
[Presentation] 酸化チタン表面におけるプロトン移動とその触媒への応用に関する理論的研究2022
- Author(s)
  千葉卓紘，飯田健二，長谷川淳也
- Organizer
  化学系学協会北海道支部2022年冬季研究発表会
- Data Source
  KAKENHI-PROJECT-20H02685
[Presentation] Metal-support charge-transfer interaction in Au/OMS-2 activates adsorbed O2 for indirect C-H activation of piperidone2022
- Author(s)
  R. Miyazaki, X. Jin, D. Yoshii, T. Yatabe, K. Yamaguchi, J. Hasegawa
- Organizer
  TOCAT9
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02685
[Presentation] Metal-support charge-transfer interaction in Au/OMS-2 activates adsorbed O2 for indirect C-H activation of piperidone2022
- Author(s)
  R. Miyazaki, X. Jin, D. Yoshii, T. Yatabe, K. Yamaguchi, J. Hasegawa
- Organizer
  PACCON2022
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02685
[Presentation] 単核ReOx/CeO2触媒による脱酸素脱水反応の理論的研究2021
- Author(s)
  保坂龍, 中山哲, 田村正純, 中川善直, 冨重圭一, 長谷川淳也
- Organizer
  第127回触媒討論会
- Data Source
  KAKENHI-PROJECT-20H02685
[Presentation] Fe/SO42-/CeO2触媒を用いた NH3-SCR メカニズムに関する理論的研究2021
- Author(s)
  大城海，高敏，長谷川淳也
- Organizer
  第23回理論化学討論会
- Data Source
  KAKENHI-PROJECT-20H02685
[Presentation] 還元的脱離過程によって決定される触媒サイクル: Ni 錯体触媒による C-O 結合活性化を介した分子内環化反応メカニズムの理論的研究2021
- Author(s)
  宮崎玲，大野祥平，有澤光弘，長谷川淳也
- Organizer
  第23回理論化学討論会
- Data Source
  KAKENHI-PROJECT-20H02685
[Presentation] DFT Study on the Chemoselective Transesterification of Methyl Acrylate with Benzyl Alcohol Catalyzed by Magnesium(II) Aryloxides2021
- Author(s)
  Manussada Ratanasak, Jie Qi Ng, Hiro Arima, Takuya Mochizuki, Kohei Toh, Kai Matsui, Manabu Hatano, Kazuaki Ishihara, Jun-ya Hasegawa
- Organizer
  第15回分子科学討論会
- Data Source
  KAKENHI-PROJECT-20H02685
[Presentation] RhドープCo微粒子触媒のCH4活性化に関する理論的研究2021
- Author(s)
  原綾汰，高敏，小林広和，福岡淳，長谷川淳也
- Organizer
  第15回分子科学討論会
- Data Source
  KAKENHI-PROJECT-20H02685
[Presentation] Mechanistic Study on the Selective Catalytic Reduction of NOX Catalyzed by Fe/SO42-/CeO2 with NH32021
- Author(s)
  Kai Oshiro, Min Gao, Jun-ya Hasegawa,
- Organizer
  The 4th IRCCS International Symposium at Hokkaido University
- Data Source
  KAKENHI-PROJECT-20H02685
[Presentation] Exploring the Mechanism of Novel Bifunctional AlIII Porphyrin Catalyzed Copolymerization of CO2 and Cyclohexene Oxide: A DFT Study2021
- Author(s)
  Manussada Ratanasak, Jingyuan Deng, Hideki Tokuda, Chihiro Maeda, Tadashi Ema, Kyoko Nozaki, Jun-ya Hasegawa
- Organizer
  The 4th IRCCS International Symposium at Hokkaido University
- Data Source
  KAKENHI-PROJECT-20H02685
[Presentation] アルカリ被毒耐性を有する脱硝Fe/SO42-/CeO2触媒のアンモニア吸着過程に関する理論的研究2021
- Author(s)
  大城海、高敏、長谷川淳也
- Organizer
  第128回触媒討論会
- Data Source
  KAKENHI-PROJECT-20H02685
[Presentation] Catalyst Informatics Cooperation among Institutes in Japan2021
- Author(s)
  J. Hasegawa
- Organizer
  e-ASIA Joint Research Program Online Workshop on Materials Informatics
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02685
[Presentation] Mechanisms study on nonoxidative coupling of methane catalyzed by Nickle phosphide2021
- Author(s)
  Rattanawale Rattanawan, Min Gao, Ichiro Yamanaka, Jun-ya Hasegawa
- Organizer
  第15回分子科学討論会
- Data Source
  KAKENHI-PROJECT-20H02685
[Presentation] Fe / SO42- / CeO2 触媒による NH3 を用いた NOX 還元反応メカニズムに関する理論的研究2021
- Author(s)
  大城海, 高敏, 長谷川淳也
- Organizer
  第127回触媒討論会
- Data Source
  KAKENHI-PROJECT-20H02685
[Presentation] Direct Dehydrogenative Conversion of Methane into C2 Hydrocarbon over Nickel Phosphide Active Catalyst: Theoretical Study2021
- Author(s)
  Rattanawale Rattanawan, 高敏, 山中一郎, 長谷川淳也
- Organizer
  第128回触媒討論会
- Data Source
  KAKENHI-PROJECT-20H02685
[Presentation] Fe/SO42-/CeO2触媒を用いたNH3-SCR法におけるアンモニア吸着過程とアルカリ金属被毒耐性に関する理論的研究2021
- Author(s)
  大城海，高敏，長谷川淳也
- Organizer
  第15回分子科学討論会
- Data Source
  KAKENHI-PROJECT-20H02685
[Presentation] 担持 Pt 触媒を用いたメタン水蒸気改質反応における電場の役割に関する理論的研究2021
- Author(s)
  千葉卓紘，飯田健二，長谷川淳也
- Organizer
  第23回理論化学討論会
- Data Source
  KAKENHI-PROJECT-20H02685
[Presentation] Mechanical Pushing Induced Selective Cyclopropanation Reaction in Ag(111) Surface2021
- Author(s)
  Danjo De Chavez and Jun-ya Hasegawa
- Organizer
  Advanced School on Quantum Transport using Siesta Centre Europeen de Cacul Atomique et Moleculaire
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02685
[Presentation] Theoretical investigations on C-C Coupling versus C-H Coupling on Fe-based Catalyst2020
- Author(s)
  Rattanawalee Rattanawan, Min Gao, Ichiro Yamanaka, Jun-ya Hasegawa
- Organizer
  第126回触媒討論会
- Data Source
  KAKENHI-PROJECT-20H02685
[Presentation] Theoretical Study of C-H Bond Activation by O2 on Negatively Charged Au Cluster Catalyst2020
- Author(s)
  Ray Miyazaki, Xiongjie Jin, Daichi Yoshii, Takafumi Yatabe, Kazuya Yamaguchi, Noritaka Mizuno, Jun-ya Hasegawa
- Organizer
  Conference on a FAIR Data Infrastructure for Materials Genomics
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02685
[Presentation] Methane to Ethane Conversion by Liquid Metal Indium: A DFT Mechanistic Study2020
- Author(s)
  Y. Ohtsuka, A. Nakayama, Y. Nishikawa, H. Ogihara, I. Yamanaka and J. Hasegawa
- Organizer
  IV International Conference on Catalysis and Chemical Engineering (CCE-2020)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] メタン脱水素カップリングにおける液体インジウムの触媒機構に関する理論的研究2019
- Author(s)
  長谷川淳也
- Organizer
  第124回触媒討論会
- Invited
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] 開殻電子系が関与する反応の理論化学：系間交差のポテンシャル面2019
- Author(s)
  長谷川淳也
- Organizer
  日本化学会第99春季年会中長期企画講演「開殻性分子種：ファジーボンドが拓く新たな化学」
- Invited
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] 二酸化炭素の有効利用に向けた理論と実験のインタープレイ2019
- Author(s)
  長谷川淳也
- Organizer
  文部科学省ポスト「京」重点課題５サブ課題C 連携推進ワークショップ
- Invited
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] Methane to Ethane Conversion by Liquid Metal Indium: A DFT Mechanistic Study2019
- Author(s)
  J. Hasegawa
- Organizer
  The 23rd International Annual Symposium on Computational Science and Engineering (ANSCSE23)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] DFT Mechanistic Investigation for the Copolymerization of CO2 and Cyclohexene Oxide Catalyzed by Novel Bifunctional Al(III) Porphyrin Catalyst2019
- Author(s)
  J. Hasegawa
- Organizer
  5th Japan-Thai workshop on Theoretical and Computational Chemistry 2019
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] A DFT Mechanistic Study of Dehydrogenative Methane Coupling by Liquid Metal Indium2019
- Author(s)
  J. Hasegawa
- Organizer
  7th international symposium of Institute for Catalysis
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] Computational Chemistry with Constraint Force2018
- Author(s)
  J. Hasegawa
- Organizer
  A Satellite Symposium to celebrate Prof. Kenichi Fukui’s 100th birthday
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] Methane to Ethane Conversion by Liquid Metal Indium: A DFT Mechanistic Study2018
- Author(s)
  Y. Ohtsuka, Y. Nishikawa, H. Ogihara, I. Yamanaka, and J. Hasegawa
- Organizer
  2018 International Symposium on Advancement and Prospect of Catalysis Science & Technology
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] Theoretical Study on Reaction Mechanisms Involving Intersystem Crossing2018
- Author(s)
  J. Hasegawa
- Organizer
  Pure and Applied Chemistry International Conference 2018
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] Theoretical Study on Rh-Catalyzed Hydrosilylation of C=C and C=O Double Bonds2018
- Author(s)
  L. Zhao, N. Nakatani, Y. Sunada, H. Nagashima, J. Hasegawa
- Organizer
  IRCCS-JST CREST Joint Symposium, Kyushu University
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] Exploring the Enantioselective Mechanism of Pd Catalyst with Polyquinoxaline Ligand for Asymmetric Hydrosilylation of Styrene2018
- Author(s)
  M. Ratanasak, T. Yamamoto, M. Suginome, and J. Hasegawa
- Organizer
  2018 National Symposium for Molecular Chirality
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] Theoretical Study on Reaction Mechanisms Involving Intersystem Crossing” Pure and Applied Chemistry International Conference 2018 (PACCON 2018)2018
- Author(s)
  J. Hasegawa
- Organizer
  Pure and Applied Chemistry International Conference 2018 (PACCON 2018)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] Exploring the Enantioselective Mechanism of Chiral Materials Based Poly(quinoxaline-2,3-diyl)s for Asymmetric Hydrosilylation of Styrene2018
- Author(s)
  M. Ratanasak, M. Suginome, and J. Hasegawa
- Organizer
  The 9th Conference of the Asian Consortium on Computational Materials Science
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] Theoretical Study of Frustrated Lewis Pair for Activation of Stable Chemical Bonds2017
- Author(s)
  J. Hasegawa, M. Ohbo, Y. Hoshimoto, and S. Ogoshi
- Organizer
  The 21th International Annual Symposium on Computational Science and Engineering (ANSCSE 21)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] Theoretical Study on Rhodium-Catalyzed Hydrosilylation of C=C and C=O Double Bonds2017
- Author(s)
  L. Zhao, N. Nakatani, Y. Sunada, H. Nagashima, J. Hasegawa
- Organizer
  Theoretical Design of Materials with Innovative Functions Based on Element Strategy and Relativistic Electronic Theory
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] Exploring the Enantioselective Mechanism of Chiral Materials Based Poly(quinoxaline-2,3-diyl)s for Asymmetric Hydrosilylation of Styrene2017
- Author(s)
  M. Ratanasak, M. Suginome, and J. Hasegawa
- Organizer
  The 21th International Annual Symposium on Computational Science and Engineering
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] Excited-State Molecular Interactions: a First-Order Interacting Space Approach2017
- Author(s)
  J. Hasegawa
- Organizer
  3rd Japan-Thai workshop on Theoretical and Computational Chemistry 2017
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] Excited-State Molecular Interactions: a First-Order Interacting Space Approach2017
- Author(s)
  J. Hasegawa, K. Yanai, K. Ishimura
- Organizer
  International Symposium on Pure & Applied Chemistry (ISPAC) 2017
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] Constraint Structure Optimization for a Particular Energy Minimum2017
- Author(s)
  J. Hasegawa
- Organizer
  2017 Summer Symposium of KCS-Physical Chemistry Division and 2017 Korea-Japan Molecular Science Symposium
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] Constraint Structure Optimization for Minimum Energy Intersystem Crossing Point2017
- Author(s)
  J. Hasegawa
- Organizer
  Theoretical Design of Materials with Innovative Functions Based on Element Strategy and Relativistic Electronic Theory
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] Mechanism of ethylene oxidation by Pt catalyst supported on mesoporous silica: a theoretical study2017
- Author(s)
  Ray Miyazaki, Naoki Nakatani, Takuro Yokoya, Kiyotaka Nakajima, Atsushi Fukuoka, Jun-ya Hasegawa
- Organizer
  第7回量子化学スクール～基礎理論と高精度理論の発展～
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] Constraint Structure Optimization for Minimum Energy Intersystem Crossing Point2017
- Author(s)
  J. Hasegawa
- Organizer
  The XXII-th Quantum Systems in Chemistry, Physics, and Biology
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] Constraint Structure Optimization for Minimum Energy Intersystem Crossing Point2017
- Author(s)
  J. Hasegawa
- Organizer
  The 8-th Asia Pacific Association of Theoretical and Computational Chemists
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] Transition states of spin-crossing reactions2016
- Author(s)
  J. Hasegawa
- Organizer
  International Symposium on Pure & Applied Chemistry (ISPAC) 2016 “Recent Advances in Pure & Applied Chemistry”,
- Place of Presentation
  Borneo Convention Centre, Kuching (Malaysia)
- Year and Date
  2016-08-15
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] Constraint Structure Optimization on Potential Energy Surface2016
- Author(s)
  J. Hasegawa
- Organizer
  Thai-Japan Symposium in Chemistry
- Place of Presentation
  Chiang Mai (Thailand)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] Transition states of spin-crossing reactions2016
- Author(s)
  J. Hasegawa
- Organizer
  EMN Meeting on Computation and Theory
- Place of Presentation
  Las Vegas (USA)
- Year and Date
  2016-10-10
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] 第四級アンモニウムヒドロキシド触媒によるCO2固定化反応の理論的解析2015
- Author(s)
  大保政貴、中山哲、依馬正、長谷川淳也
- Organizer
  化学系学協会北海道支部2015 年冬季研会究発表会
- Place of Presentation
  北海道大学（北海道札幌市）
- Year and Date
  2015-01-27
- Data Source
  KAKENHI-PROJECT-24350008
[Presentation] Theoretical Study of CO2 Fixation by a Bifunctional Porphyrin Catalyst2015
- Author(s)
  J. Hasegawa
- Organizer
  ICIQ-FIFC Spain-Japan Joint Symposium on Theoretical and Computational Chemistry of Comple Systems
- Place of Presentation
  Taragona, Spain
- Year and Date
  2015-11-25
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] 凝集系における分子の励起状態と分子間相互作用の理論的解析2015
- Author(s)
  屋内一馬、長谷川淳也
- Organizer
  化学系学協会北海道支部2015 年冬季研会究発表会
- Place of Presentation
  北海道大学（北海道札幌市）
- Year and Date
  2015-01-27
- Data Source
  KAKENHI-PROJECT-24350008
[Presentation] CO2 fixation mechanism of bifunctional porphyrin catalyst: a theoretical study2015
- Author(s)
  J. Hasegawa
- Organizer
  Pacifichem2015
- Place of Presentation
  Honolulu, Hawaii (USA)
- Year and Date
  2015-12-15
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-15H05805
[Presentation] 複雑分子系への理論化学によるアプローチ2013
- Author(s)
  長谷川淳也
- Organizer
  第53回オーロラセミナー
- Place of Presentation
  ホテル花神楽（北海道旭川市）
- Invited
- Data Source
  KAKENHI-PROJECT-24350008
[Presentation] Electrostatic and Quantum Mechanical Molecular Interactions Controlling Excitation Energies of Chromophore in Proteins and Solutions2013
- Author(s)
  J. Hasegawa
- Organizer
  The 15-th Asian Chemical Congress
- Place of Presentation
  Resort World Sentosa(Singapore)
- Invited
- Data Source
  KAKENHI-PROJECT-24350008
[Presentation] 複雑系の電子状態計算・励起状態解析の触媒への適用に向けて2013
- Author(s)
  長谷川淳也
- Organizer
  触媒討論会
- Place of Presentation
  秋田大学（秋田県秋田市）
- Invited
- Data Source
  KAKENHI-PROJECT-24350008
[Presentation] 凝集系における分子の励起状態2013
- Author(s)
  長谷川淳也
- Organizer
  溶液化学シンポジウム　プレシンポジウム
- Place of Presentation
  北海道大学学術交流会館（北海道札幌市）
- Invited
- Data Source
  KAKENHI-PROJECT-24350008
[Presentation] Molecular Excited States in Proteins and Solutions2013
- Author(s)
  J. Hasegawa
- Organizer
  5th JCS International Symposium on Theoretical Chemistry
- Place of Presentation
  東大寺文化センター（奈良県奈良市）
- Invited
- Data Source
  KAKENHI-PROJECT-24350008
[Presentation] Computational Chemistry for Complex Systems: Environmental Effect in Proteins and Solutions2013
- Author(s)
  J. Hasegawa
- Organizer
  The Fourth Joint Symposium of PCOSS-CRC
- Place of Presentation
  北海道大学創成科学研究棟（北海道札幌市）
- Invited
- Data Source
  KAKENHI-PROJECT-24350008
[Presentation] 光機能性生体分子の励起状態に関する量子化学2012
- Author(s)
  長谷川淳也
- Organizer
  第2回量子化学ウインタースクール
- Place of Presentation
  分子科学研究所カンファレンスセンター（愛知県岡崎市）
- Invited
- Data Source
  KAKENHI-PROJECT-24350008
[Presentation] 光生物学システムの励起状態と機能への理論的アプローチ2012
- Author(s)
  長谷川淳也
- Organizer
  日本化学会第92春季年会(第2次先端ウオッチング)
- Place of Presentation
  慶應義塾大学(神奈川県)(依頼講演)
- Year and Date
  2012-03-26
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] Excited states and molecular interactions in photo-functional proteins2012
- Author(s)
  J. Hasegawa
- Organizer
  Photochemistry of Supra Functional Molecular Systems
- Place of Presentation
  東京工業大学大岡山キャンパス（東京都大田区）
- Invited
- Data Source
  KAKENHI-PROJECT-24350008
[Presentation] 光機能性蛋白質における励起状態と分子間相互作用2012
- Author(s)
  長谷川淳也
- Organizer
  計算科学研究センター・ワークショップ「バイオサイエンスに対する計算分子科学からのアプローチ」
- Place of Presentation
  分子科学研究所(愛知県)(招待講演)
- Year and Date
  2012-01-25
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] 光生物学システムの励起状態と機能への理論的アプローチ(依頼講演)2012
- Author(s)
  長谷川淳也
- Organizer
  日本化学会第92春季年会(第2次先端ウオッチング)
- Place of Presentation
  慶應義塾大学
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] Theoretical Study on the Color Tuning Mechanism of Photo-functional Proteins: Excited States and Molecular interactions2012
- Author(s)
  J. Hasegawa
- Organizer
  2012 HU - NU - SNU - NIMS/MANA Joint Symposium
- Place of Presentation
  北海道大学学術交流会館（北海道札幌市）
- Invited
- Data Source
  KAKENHI-PROJECT-24350008
[Presentation] 参照軌道を用いた分子軌道の局在化法:レチナール蛋白質の励起状態への応用2012
- Author(s)
  長谷川淳也、藤本和宏、河津励
- Organizer
  第9回福井謙一記念研究センターシンポジウム
- Place of Presentation
  京都大学
- Year and Date
  2012-01-06
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] 光機能性蛋白質における励起状態と分子間相互作用(招待講演)「バイオサイエンスに対する計算分子科学からのアプローチ」2012
- Author(s)
  長谷川淳也
- Organizer
  計算科学研究センター・ワークショップ
- Place of Presentation
  分子科学研究所
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] Configuration Interaction in Quantum Chemistry2012
- Author(s)
  J. Hasegawa
- Organizer
  MAterial Simulation in Petaflops era (MASP2012)
- Place of Presentation
  東京大学物性研究所（千葉県柏市）
- Invited
- Data Source
  KAKENHI-PROJECT-24350008
[Presentation] Quantum chemistry of the excited states of photo-functional proteins2011
- Author(s)
  J. Hasegawa
- Organizer
  Bio Informatics in Torun-BIT11
- Place of Presentation
  Copernicus University, Torun, Poland, Jun
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] Excited states of photo-functional proteins : SAC-CI study(Invited talk)2011
- Author(s)
  J. Hasegawa
- Organizer
  The 4-th Japan-Czech-Slovakia Symposium on Theoretical Chemistry
- Place of Presentation
  Prague, Czech
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] 光機能性蛋白質の励起状態と機能2011
- Author(s)
  長谷川淳也
- Organizer
  計算物質科学イニシアティブ(CMSI)計算分子科学拠点第1回研究会
- Place of Presentation
  分子科学研究所(招待講演)
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] Excited states of photo-functional proteins2011
- Author(s)
  J.Hasegawa
- Organizer
  Fukui International Symposium for Theoretical Chemistry
- Place of Presentation
  京都大学(招待講演)
- Year and Date
  2011-08-31
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] Theoretical study on the excited states and molecular interactions of photo-functional proteins2011
- Author(s)
  J.Hasegawa
- Organizer
  The 14-th Asian Chemical Congress
- Place of Presentation
  Bangkok (Thailand)(招待講演)
- Year and Date
  2011-09-02
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] Theoretical study on the excited states and molecular interactions of photo-functional proteins2011
- Author(s)
  J. Hasegawa
- Organizer
  The 14-th Asian Chemical Congress
- Place of Presentation
  Bangkok, Thailand
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] 光機能性蛋白質のカラーチューニング(依頼講演)2011
- Author(s)
  長谷川淳也
- Organizer
  大阪大学蛋白質研究所セミナー
- Place of Presentation
  大阪大学
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] Excited states of photo-functional proteins : SAC-CI study2011
- Author(s)
  J. Hasegawa
- Organizer
  The 16-th Quantum Systems in Chemistry and Physics
- Place of Presentation
  Kanazawa
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] 光機能性蛋白質の励起状態と機能(招待講演)2011
- Author(s)
  長谷川淳也
- Organizer
  第1回研究会,分子科学研究所
- Place of Presentation
  分子科学研究所
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] 参照軌道を用いた分子軌道の局在化法:励起状態への応用2011
- Author(s)
  長谷川淳也、河津励、松田建児
- Organizer
  第5回分子科学討論会
- Place of Presentation
  札幌コンベンションセンター(北海道)
- Year and Date
  2011-09-20
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] Excited states of photo-functional proteins : SAC-CI study2011
- Author(s)
  J.Hasegawa
- Organizer
  The 4-th Japan-Czech-Slovakia Symposium on Theoretical Chemistry
- Place of Presentation
  Prague(チェコ)(招待講演)
- Year and Date
  2011-05-19
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] Excited states of photo-functional proteins2011
- Author(s)
  J. Hasegawa
- Organizer
  Fukui International Symposium for Theoretical Chemistry
- Place of Presentation
  Kyoto, Aug
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] Excited states of photo-functional proteins : SAC-CI study2011
- Author(s)
  J.Hasegawa
- Organizer
  The 16-th Quantum Systems in Chemistry and Physics
- Place of Presentation
  石川県立美術館(石川県)(招待講演)
- Year and Date
  2011-09-12
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] 光機能性蛋白質のカラーチューニング2011
- Author(s)
  長谷川淳也
- Organizer
  大阪大学蛋白質研究所セミナー"タンパク質科学の未来を語る-実験・理論研究者の対話-"
- Place of Presentation
  大阪大学(依頼公演)
- Year and Date
  2011-11-22
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] 参照軌道を用いる局在化法:励起状態への応用2011
- Author(s)
  長谷川淳也、河津励、松田建児
- Organizer
  第14回理論化学討論会
- Place of Presentation
  岡山大学
- Year and Date
  2011-05-14
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] Quantum chemistry of the excited states of photo-functional proteins : physical, chemical, and biological origins of the color-tuning2011
- Author(s)
  J.Hasegawa
- Organizer
  Bioinfomatics in Torun-BIT11
- Place of Presentation
  N.Copernicus University(ポーランド)(招待講演)
- Year and Date
  2011-06-02
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] Spectral tuning mechanism in photo functional proteins2010
- Author(s)
  J. Hasegawa
- Organizer
  BIT's 2nd Annual World Congress of Biosoft
- Place of Presentation
  Dalian, China
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] Quantum Chemistry in the Primary Events of Photobiological Systems2010
- Author(s)
  J.Hasegawa
- Organizer
  Pure and Applied Chemistry International Conference (PACCON2010)
- Place of Presentation
  Ubonrathatani, Thailand
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] 光合成反応中心における励起電子移動の量子化学(依頼講演)2010
- Author(s)
  長谷川淳也
- Organizer
  第59回高分子討論会
- Place of Presentation
  北海道大学
- Year and Date
  2010-09-17
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] Quantum Chemistry on the Photo functional Proteins2010
- Author(s)
  長谷川淳也
- Organizer
  分子アンサンブル
- Place of Presentation
  理化学研究所
- Year and Date
  2010-11-16
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] Quantum Chemistry on the Photofunctional Proteins2010
- Author(s)
  長谷川淳也
- Organizer
  分子アンサンブル
- Place of Presentation
  理化学研究所(招待講演)
- Year and Date
  2010-11-16
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] Spectral tuning mechanism in photofunctional proteins : A SAC-CI theoretical study2010
- Author(s)
  J.Hasegawa
- Organizer
  BIT's 2nd Annual World Congress of Biosoft-2010
- Place of Presentation
  Dalian, China(Invited talk 招待講演)
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] 光合成反応中心における励起電子移動の量子化学2010
- Author(s)
  長谷川淳也
- Organizer
  第59回高分子討論会
- Place of Presentation
  北海道大学(依頼講演)
- Year and Date
  2010-09-17
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] 光生物学システムの励起状態と機能:高精度電子理論の開発を基盤とする理論的研究2010
- Author(s)
  長谷川淳也
- Organizer
  第4回分子科学討論会
- Place of Presentation
  大阪大学(招待講演)
- Year and Date
  2010-09-14
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] 光生物学における分子理論の展開2010
- Author(s)
  長谷川淳也
- Organizer
  特定領域研究「実在系の分子理論」最終成果報告会
- Place of Presentation
  東京大学
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] Quantum Chemistry in the Primary Event of Photo biological Processes(Invited talk)2010
- Author(s)
  J. Hasegawa
- Organizer
  Pure and Applied Chemistry International Conference
- Place of Presentation
  Thailand
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] Quantum Chemistry in the Primary Events of Photobiological Systems2010
- Author(s)
  J.Hasegawa
- Organizer
  Pure and Applied Chemistry International Conference (PACCON2010)
- Place of Presentation
  Ubonrathatani, Thailand
- Data Source
  KAKENHI-PROJECT-20038026
[Presentation] 光生物学システムの励起状態と機能:高精度電子理論の開発を基盤とする理論的研究(奨励賞受賞講演)2010
- Author(s)
  長谷川淳也
- Organizer
  第4回分子科学討論会
- Place of Presentation
  大阪大学
- Year and Date
  2010-09-14
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] Toward Rational Molecular Design of Functional Proteins : Emission Color Tuning Mechanism of Fluorescent Proteins2009
- Author(s)
  長谷川淳也
- Organizer
  理研シンポジウム「分子アンサンブル」
- Place of Presentation
  理化学研究所
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] Excited states of photo functional molecules in protein : Electronic structure and interaction Invited talk)2009
- Author(s)
  J. Hasegawa
- Organizer
  45th Symposium on Theoretical Chemistry, Excited States : From Photo physics to Photobiology
- Place of Presentation
  Neuss am Rhein, Germany
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] 単参照クラスター展開法を起点とする擬縮退電子系の計算手法2009
- Author(s)
  長谷川淳也、小畑暁広、松田建児
- Organizer
  理論化学討論会
- Place of Presentation
  東京大学
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] 光機能性蛋白質にみられるカラーチューニングの起源に関する物理と化学と生物学2009
- Author(s)
  長谷川淳也
- Organizer
  第1回生物物質科学フォーラム
- Place of Presentation
  名古屋大学
- Year and Date
  2009-03-17
- Data Source
  KAKENHI-PROJECT-20038026
[Presentation] Excited States of photofunctional molecules in protein : Electronic structure and interaction2009
- Author(s)
  J.Hasegawa
- Organizer
  45th Symposium on Theoretical Chemistry, Excited States : From Photophysics to Photobiology
- Place of Presentation
  Neuss am Rhein, Germany
- Data Source
  KAKENHI-PROJECT-20038026
[Presentation] Excited states of photo functional molecules in protein environments(Invited talk)2009
- Author(s)
  J. Hasegawa
- Organizer
  CREST International Symposium on Theory and Simulations of Complex Molecular Systems
- Place of Presentation
  Kyoto University
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] Excited states of photofunctional molecules in protein environments2009
- Author(s)
  J.Hasegawa
- Organizer
  CREST International Symposium on Theory and Simulations of Complex Molecular Systems
- Place of Presentation
  Kyoto University
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] 光機能性蛋白質にみられるカラーチューニングの起源に関する物理と化学と生物学2009
- Author(s)
  長谷川淳也
- Organizer
  第1回生物物質科学フォーラム
- Place of Presentation
  名古屋大学
- Year and Date
  2009-03-17
- Data Source
  KAKENHI-PROJECT-18770130
[Presentation] 光合成・色覚・蛍光蛋白質の光機能への量子化学アプローチ2009
- Author(s)
  長谷川淳也
- Organizer
  東北大学理学部化学教室「一般雑誌会」
- Place of Presentation
  東北大学
- Year and Date
  2009-11-27
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] 単参照クラスター展開法を起点とする擬縮退電子系の計算手法2009
- Author(s)
  長谷川淳也、小畑暁広、松田建児
- Organizer
  理論化学討論会
- Place of Presentation
  東京大学
- Data Source
  KAKENHI-PROJECT-20038026
[Presentation] Excited states of photofunctional molecules in protein environments2009
- Author(s)
  J.Hasegawa
- Organizer
  CREST International Symposium on Theory and Simulations of Complex Molecular Systems
- Place of Presentation
  Kyoto University
- Data Source
  KAKENHI-PROJECT-20038026
[Presentation] Excited states of photofunctional molecules in protein : Electronic structure and interaction2009
- Author(s)
  J.Hasegawa
- Organizer
  45th Symposium on Theoretical Chemistry, Excited States : From Photophysics to Photobiology
- Place of Presentation
  Neuss am Rhein, Germany
- Data Source
  KAKENHI-PROJECT-21685002
[Presentation] 光機能性蛋白質にみられるカラーチューニング機構に関する理論的研究2008
- Author(s)
  長谷川淳也
- Organizer
  〓研シンポジウム「分子アンサンブル2008」
- Place of Presentation
  理化学研究所
- Data Source
  KAKENHI-PROJECT-20038026
[Presentation] SAC-CI study on the primary events in photobiological processes(招待講演)2008
- Author(s)
  J. Hasegawa
- Organizer
  第88回日本化学会春季年会アジア国際シンポジウム
- Place of Presentation
  立教大学東京
- Year and Date
  2008-03-28
- Data Source
  KAKENHI-PROJECT-18033029
[Presentation] 紅色光合成細菌の反応中心の励起状態と電子移動:電子理論による研究(依頼講演)2008
- Author(s)
  長谷川淳也
- Organizer
  分子研研究会「分子の視点から見る光合成」
- Place of Presentation
  分子科学研究所
- Data Source
  KAKENHI-PROJECT-19029023
[Presentation] Spectral Tuning Mechanism in Photofunctional Proteins : ASAC-CI Theoretical Study2008
- Author(s)
  J. Hasegawa
- Organizer
  International Symposium on Frontiers of Computatinal Science 2008
- Place of Presentation
  北陸先端大東京サテライトキャンパス
- Data Source
  KAKENHI-PROJECT-18770130
[Presentation] ヒト網膜の光受容体におけるスペクトル・チューニング2008
- Author(s)
  長谷川淳也
- Organizer
  量子化学研究会シンポジウム「革新的量子化学の展開」
- Place of Presentation
  キャンパスプラザ京都
- Year and Date
  2008-05-31
- Data Source
  KAKENHI-PROJECT-20038026
[Presentation] 光生物学における分子理論の展開 : 励起状態理論の開発を基盤とし2008
- Author(s)
  長谷川淳也
- Organizer
  特定領域研究「実在系の分子理論」平成20年度成果報告会
- Place of Presentation
  北海道大学
- Data Source
  KAKENHI-PROJECT-20038026
[Presentation] SAC-CI study on the primary events in photobiological processes (Invited lecture)2008
- Author(s)
  J. Hasegawa
- Organizer
  第88回日本化学会春季年会アジア国際シンポジウム
- Place of Presentation
  立教大学
- Year and Date
  2008-03-28
- Data Source
  KAKENHI-PROJECT-18770130
[Presentation] Spectral Tuning Mechanism in Photofunctional Proteins : A SAC-CI Theoretical Study2008
- Author(s)
  J. Hasegawa
- Organizer
  International Symposium on Frontiers of Computatinal Science 2008
- Place of Presentation
  北陸先端大東京サテライトキャンパス
- Data Source
  KAKENHI-PROJECT-20038026
[Presentation] 光生物学における分子理論の展開 : 励起状態理論の開発を基盤とし2008
- Author(s)
  長谷川淳也
- Organizer
  特定領域研究「実在系の分子理論」平成20年度成果報告会
- Place of Presentation
  北海道大学
- Data Source
  KAKENHI-PROJECT-18770130
[Presentation] 光機能性蛋白質にみられるカラーチューニング機構に関する理論的研究2008
- Author(s)
  長谷川淳也
- Organizer
  研シンポジウム「分子アンサンブル2008」
- Place of Presentation
  理化学研究所
- Data Source
  KAKENHI-PROJECT-18770130
[Presentation] ヒト網膜の光受容体におけるスペクトル・チューニング2008
- Author(s)
  長谷川淳也
- Organizer
  量子化学研究協会シンポジウム「革新的量子化学の展開」
- Place of Presentation
  キャンパスプラザ京都
- Year and Date
  2008-05-31
- Data Source
  KAKENHI-PROJECT-18770130
[Presentation] 紅色光合成細菌の反応中心の励起状態と電子移動:電子理論による研究(依頼講演)2008
- Author(s)
  長谷川淳也
- Organizer
  分子研研究会「分子の視点から見る光合成」
- Place of Presentation
  分子科学研究所
- Data Source
  KAKENHI-PROJECT-18770130
[Presentation] SAC-CI study on the primary events in photobiological processes(招待講演)2008
- Author(s)
  J. Hasegawa
- Organizer
  第88回日本化学会春季年会アジア国際シンポジウム
- Place of Presentation
  立教大学東京
- Year and Date
  2008-03-28
- Data Source
  KAKENHI-PROJECT-18770130
[Presentation] 紅色光合成細菌の反応中心の励起状態と電子移動:電子理論による研究(依頼講演)2008
- Author(s)
  長谷川淳也
- Organizer
  分子研研究会「分子の視点から見る光合成」
- Place of Presentation
  分子科学研究所
- Data Source
  KAKENHI-PROJECT-18033029
[Presentation] SAC-CI study on the primary events in photobiological processes(招待講演)2008
- Author(s)
  J. Hasegawa
- Organizer
  第88回日本化学会春季年会アジア国際シンポジウム
- Place of Presentation
  立教大学東京
- Year and Date
  2008-03-28
- Data Source
  KAKENHI-PROJECT-19029023
[Presentation] Exploring Photobiology with the SAC-CI method(招待講演)2007
- Author(s)
  J. Hasegawa
- Organizer
  Molecular Response to Electronic Excitation
- Place of Presentation
  ドイツ
- Data Source
  KAKENHI-PROJECT-19029023
[Presentation] Exploring Photobiology with the SAC-CI method(招待講演)2007
- Author(s)
  J. Hasegawa
- Organizer
  Molecular Response to Electronic Excitation
- Place of Presentation
  ドイツ
- Data Source
  KAKENHI-PROJECT-18033029
[Presentation] Color-tuning mechanism of human visual cone pigments(招待講演)2007
- Author(s)
  J. Hasegawa
- Organizer
  The 2nd Japan-Czech-Slovakia Joint Symposium for Theoretical/Computational Chemistry
- Place of Presentation
  京都大学
- Data Source
  KAKENHI-PROJECT-18033029
[Presentation] Color-tuning in Photobiology: A SAC-CI study(招待講演)2007
- Author(s)
  J. Hasegawa
- Organizer
  International Symposium on Molecular Theory for Real Systems, Kyoto
- Place of Presentation
  京都大学
- Data Source
  KAKENHI-PROJECT-18770130
[Presentation] Color-tuning mechanism of human visual cone pigments(招待講演)2007
- Author(s)
  J. Hasegawa
- Organizer
  The 2-nd Japan-Czeck-Slovakia Joint Symposium for Theoretical/Computational Chemistry
- Place of Presentation
  京都大学
- Data Source
  KAKENHI-PROJECT-19029023
[Presentation] SAC-CI study of the Color-tuning Mechanism in Photobiology(招待講演)2007
- Author(s)
  J. Hasegawa
- Organizer
  The Third Asian-Pacific Conference of Theoretical and Computational Chemistry (APCTCC)
- Place of Presentation
  Beijing
- Data Source
  KAKENHI-PROJECT-18033029
[Presentation] Color-tuning mechanism of human visual cone pigments(招待講演)2007
- Author(s)
  J. Hasegawa
- Organizer
  The 2-nd Japan-Czeck-Slovakia Joint Symposium for Theoretical/Computational Chemistry
- Place of Presentation
  京都大学
- Data Source
  KAKENHI-PROJECT-18770130
[Presentation] Quantum Chemical Approach to Photobiology: Excited States of Photosynthetic Reaction Centers, Fluorescent Proteins, and Human Visual Cone Pigments(招待講演)2007
- Author(s)
  J. Hasegawa
- Organizer
  Photosynthesis and Enzyme Reactions
- Place of Presentation
  大阪市立大学
- Year and Date
  2007-11-29
- Data Source
  KAKENHI-PROJECT-18770130
[Presentation] 光合成細菌の反応中心における励起状態と電子移動:量子化学の視点から(招待講演)2007
- Author(s)
  長谷川淳也
- Organizer
  有機固体冬の学校
- Place of Presentation
  箱根
- Data Source
  KAKENHI-PROJECT-18770130
[Presentation] Color-tuning in Photobiology: A SAC-CI study(招待講演)2007
- Author(s)
  J. Hasegawa
- Organizer
  International Symposium on Molecular Theory for Real Systems, Kyoto
- Place of Presentation
  京都大学
- Data Source
  KAKENHI-PROJECT-18033029
[Presentation] Quantum Chemical Approach to Photobiology: Excited States of Photosynthetic Reaction Centers, Fluorescent Proteins, and Human Visual Cone Pigments(招待講演)2007
- Author(s)
  J. Hasegawa
- Organizer
  Photosynthesis and Enzyme Reactions
- Place of Presentation
  大阪市立大学
- Year and Date
  2007-11-29
- Data Source
  KAKENHI-PROJECT-18033029
[Presentation] 光合成細菌の反応中心における励起状態と電子移動:量子化学の視点から(招待講演)2007
- Author(s)
  長谷川淳也
- Organizer
  有機固体冬の学校
- Place of Presentation
  箱根
- Data Source
  KAKENHI-PROJECT-18033029
[Presentation] Color-tuning in Photobiology: A SAC-CI study(招待講演)2007
- Author(s)
  J. Hasegawa
- Organizer
  International Symposium on Molecular Theory for Real Systems, Kyoto
- Place of Presentation
  京都大学
- Data Source
  KAKENHI-PROJECT-19029023
[Presentation] Exploring Photobiology with the SAC-CI method(招待講演)2007
- Author(s)
  J. Hasegawa
- Organizer
  Molecular Response to Electronic Excitation
- Place of Presentation
  ドイツ
- Data Source
  KAKENHI-PROJECT-18770130
[Presentation] Exploring Photobiology with the SAC-CI method2007
- Author(s)
  J. Hasegawa
- Organizer
  Molecular Response to Electronic Excitation, Bad Munstereifel
- Place of Presentation
  Germany
- Data Source
  KAKENHI-PROJECT-18770130
[Presentation] Quantum Chemical Approach to Photobiology: Excited States of Photosynthetic Reaction Centers, Fluorescent Proteins, and Human Visual Cone Pigments(招持講演)2007
- Author(s)
  J. Hasegawa
- Organizer
  Photosynthesis and Enzyme Reactions
- Place of Presentation
  大阪市立大学
- Year and Date
  2007-11-29
- Data Source
  KAKENHI-PROJECT-19029023
[Presentation] SAC-CI study of the Color-tuning Mechanism in Photobiology(招待講演)2007
- Author(s)
  J. Hasegawa
- Organizer
  The Third Asian-Pacific Conference of Theoretical and Computational Chemistry (APCTCC)
- Place of Presentation
  Beijing
- Data Source
  KAKENHI-PROJECT-18770130
[Presentation] 光合成細菌の反応中心における励起状態と電子移動:量子化学の視点から(招待講演)2007
- Author(s)
  長谷川淳也
- Organizer
  有機固体冬の学校
- Place of Presentation
  箱根
- Data Source
  KAKENHI-PROJECT-19029023
[Presentation] SAC-CI study of the Color-tuning Mechanism in Photobiology(招待講演)2007
- Author(s)
  J. Hasegawa
- Organizer
  The Third Asian-Pacific Conference of Theoretical and Computational Chemistry (APCTCC)
- Place of Presentation
  Beijing
- Data Source
  KAKENHI-PROJECT-19029023
[Presentation] SAC-CI applied to photobiology and biospectroscopy2006
- Author(s)
  J. Hasegawa
- Organizer
  The XII-th International Congress of Quantum Chemistry, Satellite Symposium「Reactions in Solution and Biological Systems : Potential Energy Surface and Dynamics」
- Place of Presentation
  Fukui Institute for Fundamental Chemistry
- Data Source
  KAKENHI-PROJECT-18770130
[Presentation] 凝集系における分子の励起状態と分子間相互作用
- Author(s)
  長谷川淳也
- Organizer
  理研シンポジウム「生体分子系量子化学計算の最前線」
- Place of Presentation
  理化学研究所（埼玉県和光市）
- Year and Date
  2015-01-22 – 2015-01-23
- Invited
- Data Source
  KAKENHI-PROJECT-24350008
[Presentation] Excited States and Molecular Interactions in Proteins and Solutions
- Author(s)
  J. Hasegawa
- Organizer
  The 2nd China-Japan-Korea Tripartite Workshop on Theoretical and Computational Chemistry
- Place of Presentation
  理化学研究所（兵庫県神戸市）
- Year and Date
  2015-01-21 – 2015-01-23
- Invited
- Data Source
  KAKENHI-PROJECT-24350008
[Presentation] Excited States and Molecular Interactions in Proteins and Solutions
- Author(s)
  J. Hasegawa
- Organizer
  Quantum System in Chemistry and Physics
- Place of Presentation
  Tamkang University(新北市、台湾)
- Year and Date
  2014-11-11 – 2014-11-17
- Invited
- Data Source
  KAKENHI-PROJECT-24350008

1. HADA Masahiko (20228480)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
2. MATSUDA Kenji (80262145)

# of Collaborated Projects: 1 results

# of Collaborated Products: 3 results
3. FUKAMINATO Tuyoshi (80380583)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
4. HIGASHIGUCHI Kenji (90376583)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
5. FUJII Hiroshi (80228957)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
6. 中辻博 (90026211)

# of Collaborated Projects: 1 results

# of Collaborated Products: 22 results
7. 加藤重樹 (20113425)

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results
8. 榊茂好 (20094013)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
9. 江原正博 (80260149)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
10. 森田明弘 (70252418)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
11. 澤村正也 (40202105)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
12. 上野貢生 (00431346)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
13. HATANO Manabu

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
14. NAKAYAMA Akira

# of Collaborated Projects: 0 results

# of Collaborated Products: 9 results
15. ISHIMURA Kazuya

# of Collaborated Projects: 0 results

# of Collaborated Products: 3 results
16. OHTSUKA Yuhki

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
17. OOHORA Koji

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
18. HAYASHI Takashi

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
19. FUJIMOTO Kazuhiro

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
20. SUNADA Yusuke

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
21. KOBAYASHI Hirokazu

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
22. MITSUDO Koichi

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
23. 石原一彰

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
24. 佐藤美洋

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
25. 有澤光弘

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
26. 中谷直輝

# of Collaborated Projects: 0 results

# of Collaborated Products: 3 results
27. 高柳敏幸

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
28. 原賢二

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
29. 増田侑亮

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
30. 依馬正

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
31. 山口和也

# of Collaborated Projects: 0 results

# of Collaborated Products: 5 results
32. 水野哲孝

# of Collaborated Projects: 0 results

# of Collaborated Products: 4 results
33. 金雄杰

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
34. 五月女光

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
35. 富重圭一

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
36. 岩渕好治

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
37. 笹野裕介

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
38. 永島英夫

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
39. LIU CHONG

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
40. 清水研一

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
41. 前野禅

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
42. 北村雅人

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
43. 高敏

# of Collaborated Projects: 0 results

# of Collaborated Products: 3 results
44. 菅誠治

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
45. 谷田部孝文

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
46. 野崎京子

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
47. 田中真司

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
48. 宋志毅

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
49. 中野環

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
50. 廣瀬崇至

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
51. 東雅大

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Hasegawa Junya 長谷川 淳也

HASEGAWA Jun-ya 長谷川 淳也

長谷川 淳也 ハセガワ ジュンヤ

Research Projects

Research Products

Co-Researchers

Development of Enantioselective Reactions Based on Visible Light Excitation of Chiral Transition Metal Catalysts

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Development of Reaction Concepts and Computational Methods for Chemical Reactions under Mechanochemical StimulationsPrincipal Investigator

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Development and application of computational methods toward controlling the active site of bio-catalystsPrincipal Investigator

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Molecular Excited States in Proteins and Solutions: A Wave Function Approach and its Extension to Quantum Mechanical Force FieldPrincipal Investigator

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Quantum-Chemical Study on Magnetic Molecular Properties andChemical Reactions in Excited States Based on the RelativisticSAC-CI Theory

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Development of inter-molecular interaction theory for excited statesPrincipal Investigator

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光生物学における分子理論の展開:励起状態理論の開発を基盤としてPrincipal Investigator

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DNA2重螺旋におけるCircular Dichroismの理論分光Principal Investigator

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Construction of avalanche photochromic system

Principal Investigator

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水素吸蔵の量子的原理:新規材料設計への展開Principal Investigator

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Excited states of bio-molecules and their dynamics : Electronic-structure theoretical approachPrincipal Investigator

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配位空間のポテンシャル面:計算化学によるアプローチPrincipal Investigator

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量子的化学原理の深化と実現

Principal Investigator

Hasegawa Junya 長谷川淳也

HASEGAWA Jun-ya 長谷川淳也

長谷川淳也ハセガワジュンヤ