Mori Seiji 森聖治

… Alternative Names

MORI Seiji 森聖治

森聖治モリセイジ

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Researcher Number	50332549
Other IDs	https://orcid.org/0000-0001-7819-5125
External Links
Affiliation (Current)	2024: 茨城大学, 基礎自然科学野, 教授
Affiliation (based on the past Project Information) *help	2018 – 2022: 茨城大学, 理工学研究科(理学野), 教授 2012 – 2017: 茨城大学, 理学部, 教授 2011: 茨城大学, 理学部, 准教授 2007 – 2009: Ibaraki University, 理学部, 准教授 2002 – 2003: 茨城大学, 理学部, 助教授
Review Section/Research Field	Principal Investigator Science and Engineering / Basic Section 33010:Structural organic chemistry and physical organic chemistry-related / Organic chemistry / Science and Engineering / Physical chemistry / Organic chemistry Except Principal Investigator Basic Section 34020:Analytical chemistry-related / Chemistry / Science and Engineering / Structural biochemistry
Keywords	Principal Investigator 量子化学計算 / 反応機構 / 金属触媒 / 分子動力学計算 / QM/MM法 / 酵素反応機構 / 酵素 / 密度汎関数法計算 / 密度汎関数法 / 非共有結合相互作用 … More / 非共有結合性相互作用 / 分子動力学シミュレーション / QM/MM計算 / プロスタグランジン合成酵素 / 反応活性種 / トロンボキサンA_2合成酵素 / 一電子移動 / シトクロムP450 / プロスタサイクリン合成酵素 / 立体選択性 / クラスタリング / ビックデータサイエンス / 選択性 / MDシミュレーション / 触媒反応 / 環化反応 / C-O結合活性化 / 電子状態 / C-C結合活性化 / C-H結合活性化 / 高エナンチオ選択性 / プロトン化状態 / ビリン還元酵素 / 天然有機化合物 / 触媒反応場 / 物質変換反応 / グラフ理論 / 反応経路探索 / 結合活性化反応 / アロステリック効果 / シクロオキシゲナーゼ / 異性化反応 / プロスタグランジン類 / プロスタグランジン / 分子活性化 / 結合開裂 / ヘム酵素 / 不活性結合 / 分子軌道法 / リチウムイノラート / スピン状態 / 触媒ポケット / ヘム / トロンボキサンA合成酵素 / 鉄-ヘム錯体 / プロスタグランジンE_2合成酵素 / エンドペルオキシド / UB3LYP密度汎関数法 / トロンボキサン合成酵素 / プロスタグランジンD_2合成酵素 / プロスタノイド / 配座解折 / natural bond orbital / システイン / IRスペクトル / 有機銅-リチウム会合体 / 開環反応 / 溶媒効果 / 密度汎関数 … More Except Principal Investigator 界面 / 中性子反射率 / HBI / 蛍光プローブ / 水素結合 / 炭素－リン結合活性化 / 炭素－窒素結合活性化 / 炭素－炭素結合活性化 / 還元的脱フッ素化 / アミド化 / 炭素－シアノ結合活性化 / 二座配向基 / アミデート配向基 / 炭素－酸素結合活性化 / 炭素－フッ素結合活性化 / 炭素－水素結合活性化 / 分子活性化 / 結合活性化 / 中性子 / 水素化状態 / 変異体 / プロトン化状態 / 酵素 / 結晶成長 / 反応機構 / 分光学 / プロトン / 水素原子 / 光合成色素 / ビリン還元酵素 / 中性子結晶構造解析 Less

Mechanistic Insights into metal- and enzyme-catalyzed reactions using hybrid quantum chemical and information science approachesPrincipal Investigator
- Principal Investigator
  
  森聖治
- Project Period (FY)
  2021 – 2023
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 33010:Structural organic chemistry and physical organic chemistry-related
- Research Institution
  Ibaraki University
Fluorescence detection of hydrogen-bonding strength using ESIPT-type fluorescent probe
- Principal Investigator
  
  阿久津和宏
- Project Period (FY)
  2021 – 2023
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 34020:Analytical chemistry-related
- Research Institution
  一般財団法人総合科学研究機構(総合科学研究センター(総合科学研究室)及び中性子科学センター(研究開発
Theoretical Studies on Role of Enzymes in Regioselective Biosyntheses of Natural ProductsPrincipal Investigator
- Principal Investigator
  
  Mori Seiji
- Project Period (FY)
  2018 – 2020
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 33010:Structural organic chemistry and physical organic chemistry-related
- Research Institution
  Ibaraki University
Computational Analyses for extremely difficult substrate conversion reactionsPrincipal Investigator
- Principal Investigator
  
  森聖治
- Project Period (FY)
  2018 – 2019
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Research Institution
  Ibaraki University
Development of Next-Generation Transformation Invonving Molecular Activation as a Key Step
- Principal Investigator
  
  Chatani Naoto
- Project Period (FY)
  2017 – 2021
- Research Category
  
  Grant-in-Aid for Specially Promoted Research
- Review Section
  
  Science and Engineering
  Chemistry
- Research Institution
  Osaka University
Theoretical design of Extremely Difficult and Selective Substrate Conversion ReactionsPrincipal Investigator
- Principal Investigator
  
  森聖治
- Project Period (FY)
  2016 – 2017
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Ibaraki University
Elucidation of Reaction Mechanism of Bili Reductase by Multiple Methods Mainly Neutron Structure Analysis
- Principal Investigator
  
  Unno Masaki
- Project Period (FY)
  2016 – 2018
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Structural biochemistry
- Research Institution
  Ibaraki University
Computational Studies on Functions and Reactions of Prostaglandin SynthasesPrincipal Investigator
- Principal Investigator
  
  MORI Seiji
- Project Period (FY)
  2015 – 2017
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Organic chemistry
- Research Institution
  Ibaraki University
多元素が関わる酵素反応機構の計算化学的解明Principal Investigator
- Principal Investigator
  
  森聖治
- Project Period (FY)
  2015 – 2016
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Ibaraki University
量子化学計算に基づく分子活性化の活性種および反応機構の解明Principal Investigator
- Principal Investigator
  
  森聖治
- Project Period (FY)
  2013 – 2014
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Ibaraki University
金属触媒による不活性結合開裂に関する理論的研究Principal Investigator
- Principal Investigator
  
  森聖治
- Project Period (FY)
  2011 – 2012
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Ibaraki University
生理活性物質の生合成反応における酵素の役割Principal Investigator
- Principal Investigator
  
  森聖治
- Project Period (FY)
  2008 – 2009
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Ibaraki University
Theoretical Studies on Mechanisms of Prostanoid BiosynthesesPrincipal Investigator
- Principal Investigator
  
  MORI Seiji
- Project Period (FY)
  2007 – 2009
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Ibaraki University
有機化学反応における電子状態および溶媒の制御に関する理論的研究Principal Investigator
- Principal Investigator
  
  森聖治
- Project Period (FY)
  2002 – 2003
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Organic chemistry
- Research Institution
  Ibaraki University

[Book] Advances in Medicine and Biology, Volume 152011
- Author(s)
  Yanai, T.K.; Mori, S.
- Total Pages
  23
- Publisher
  Nova Scientific Publishers
- Data Source
  KAKENHI-PUBLICLY-23105507
[Journal Article] Neutron crystallography and quantum chemical analysis of bilin reductase PcyA mutants reveal substrate and catalytic residue protonation states2023
- Author(s)
  Joutsuka Tatsuya、Nanasawa Ryota、Igarashi Keisuke、Horie Kazuki、Sugishima Masakazu、Hagiwara Yoshinori、Wada Kei、Fukuyama Keiichi、Yano Naomine、Mori Seiji、Ostermann Andreas、Kusaka Katsuhiro、Unno Masaki
- Journal Title
  
  Journal of Biological Chemistry
  
  Volume: 299 Issue: 1 Pages: 102763-102763
- DOI
  10.1016/j.jbc.2022.102763
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K04988, KAKENHI-PROJECT-21K05016, KAKENHI-PROJECT-22K05321, KAKENHI-PLANNED-21H05260, KAKENHI-PROJECT-20K05758
[Journal Article] Experimental and theoretical studies of the rhodium(I)-catalysed C-H oxidative alkenylation/cyclization of N-(2-(methylthio)phenyl)benzamides with maleimides2023
- Author(s)
  Skhiri Aymen、Taborosi Attila、Ohara Nozomi、Ano Yusuke、Mori Seiji、Chatani Naoto
- Journal Title
  
  Organic Chemistry Frontiers
  
  Volume: 10 Issue: 7 Pages: 1617-1625
- DOI
  10.1039/d3qo00023k
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-21K05016, KAKENHI-PROJECT-17H06091
[Journal Article] Nickel-catalyzed Hydrodefluorination of ortho-Fluoro Aromatic Amides with 2-Propanol2023
- Author(s)
  Morishige Aoi、Matsuura Akihisa、Chatani Naoto
- Journal Title
  
  Chemistry Letters
  
  Volume: 52 Issue: 2 Pages: 63-66
- DOI
  10.1246/cl.220485
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H06091
[Journal Article] Iridium(III)-Catalyzed Asymmetric Site-Selective Carbene C-H Insertion during Late-Stage Transformation2022
- Author(s)
  Yamakawa Yuki、Ikuta Takashi、Hayashi Hiroki、Hashimoto Keigo、Fujii Ryoma、Kawashima Kyohei、Mori Seiji、Uchida Tatsuya、Katsuki Tsutomu
- Journal Title
  
  The Journal of Organic Chemistry
  
  Volume: 87 Issue: 10 Pages: 6769-6780
- DOI
  10.1021/acs.joc.2c00470
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K05016
[Journal Article] Integrated Experimental and Computational Studies on the Organocatalytic Kinetic Resolution of β-Unfunctionalized Primary Alcohols Using a Chiral 1,2-Diamine: The Importance of Noncovalent Interactions2022
- Author(s)
  Sakai Naoki、Ojima Kohei、Mori Seiji、Oriyama Takeshi
- Journal Title
  
  The Journal of Organic Chemistry
  
  Volume: 87 Issue: 6 Pages: 4468-4475
- DOI
  10.1021/acs.joc.1c03033
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K05016, KAKENHI-PROJECT-21K05065
[Journal Article] Non-innocent redox behavior of CuII-pi-dimethylaminophenolate complexes: formation and characterization of the CuI-phenoxyl radical species2022
- Author(s)
  Shima Yuto、Suzuki Takashi、Abe Hitoshi、Yajima Tatsuo、Mori Seiji、Shimazaki Yuichi
- Journal Title
  
  Chemical Communications
  
  Volume: 58 Issue: 44 Pages: 6401-6404
- DOI
  10.1039/d2cc01409b
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K05016
[Journal Article] Nickel‐Catalyzed Suzuki‐Miyaura Cross‐Coupling Involving C-O Bond Activation2021
- Author(s)
  Morishige Aoi、Iyori Yasuaki、Chatani Naoto
- Journal Title
  
  Helvetica Chimica Acta
  
  Volume: 104 Issue: 8
- DOI
  10.1002/hlca.202100089
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H06091
[Journal Article] Combined Computational and Experimental Studies on the Asymmetric Michael Addition of α-Aminomaleimides to β-Nitrostyrenes Using an Organocatalyst Derived from Cinchona Alkaloid2021
- Author(s)
  Sakai Naoki、Kawashima Kyohei、Kajitani Masashi、Mori Seiji、Oriyama Takeshi
- Journal Title
  
  Organic Letters
  
  Volume: 23 Issue: 15 Pages: 5714-5718
- DOI
  10.1021/acs.orglett.1c01831
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K05016, KAKENHI-PROJECT-21K05065
[Journal Article] Calculation of CYP450 protein-ligand binding and dissociation free energy paths2021
- Author(s)
  Su Kuan-Hsuan、Wu Chin-Teng、Lin Shang-Wei、Mori Seiji、Liu Wei-Min、Yang Hsiao-Ching
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 155 Issue: 2 Pages: 025101-025101
- DOI
  10.1063/5.0046169
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K05016
[Journal Article] H/D Isotope Effects in Keto-Enol Tautomerism of β-Dicarbonyl Compounds: Importance of Nuclear Quantum Effects of Hydrogen Nuclei2021
- Author(s)
  Udagawa Taro、Murphy Rhys B.、Darwish Tamim A.、Tachikawa Masanori、Mori Seiji
- Journal Title
  
  Bulletin of the Chemical Society of Japan
  
  Volume: 94 Issue: 7 Pages: 1954-1962
- DOI
  10.1246/bcsj.20210083
- NAID
  130008076866
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-19H05063, KAKENHI-PROJECT-18H01945, KAKENHI-PUBLICLY-21H00026, KAKENHI-PROJECT-21K04991, KAKENHI-PROJECT-21K05016
[Journal Article] Combined MD and QM/MM Investigations of Hydride Reduction of 5α-Dihydrotestosterone Catalyzed by Human 3α-Hydroxysteroid Dehydrogenase Type 3:Importance of Noncovalent Interactions2021
- Author(s)
  Hiroaki Mitsuizumi, Seiji Mori
- Journal Title
  
  Journal of Physical Chemistry B
  
  Volume: - Issue: 19 Pages: 4998-5008
- DOI
  10.1021/acs.jpcb.1c01751
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K05072, KAKENHI-PROJECT-21K05016
[Journal Article] Reaction Path Determination of Rhodium(I)-Catalyzed C-H Alkylation of N-8-Aminoquinolinyl Aromatic Amides with Maleimides2021
- Author(s)
  Taborosi Attila、He Qiyuan、Ano Yusuke、Chatani Naoto、Mori Seiji
- Journal Title
  
  The Journal of Organic Chemistry
  
  Volume: 87 Issue: 1 Pages: 737-743
- DOI
  10.1021/acs.joc.1c02737
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K05016, KAKENHI-PROJECT-17H06091
[Journal Article] Solid State Characterization of One‐ and Two‐Electron Oxidized CuII‐salen Complexes with para‐Substituents: Geometric Structure‐Magnetic Property Relationship2021
- Author(s)
  Takeyama Tomoyuki、Suzuki Takashi、Kikuchi Misa、Kobayashi Misato、Oshita Hiromi、Kawashima Kyohei、Mori Seiji、Abe Hitoshi、Hoshino Norihisa、Iwatsuki Satoshi、Shimazaki Yuichi
- Journal Title
  
  European Journal of Inorganic Chemistry
  
  Volume: 2021 Issue: 39 Pages: 4133-4145
- DOI
  10.1002/ejic.202100776
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K05016
[Journal Article] Enantioselective Radical Type, 1,2-Oxytrifluoromethylation of Olefins Catalyzed by Chiral Vanadyl Complexes: Importance of Noncovalent Interactions2021
- Author(s)
  Chen Chien-Tien、Su Yu-Cheng、Lu Chia-Hao、Lien Chien-I、Hung Shiang-Fu、Hsu Chan-Wei、Agarwal Rachit、Modala Ramuasagar、Tseng Hung-Min、Tseng Pin-Xuan、Fujii Ryoma、Kawashima Kyohei、Mori Seiji
- Journal Title
  
  ACS Catalysis
  
  Volume: 11 Issue: 12 Pages: 7160-7175
- DOI
  10.1021/acscatal.1c01813
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K05016
[Journal Article] Nickel-catalyzed C-O/N-H, C-S/N-H, and C-CN/N-H annulation of aromatic amides with alkynes: C-O, C-S, and C-CN activation2021
- Author(s)
  Iyori Yasuaki、Ueno Rina、Morishige Aoi、Chatani Naoto
- Journal Title
  
  Chemical Science
  
  Volume: 12 Issue: 5 Pages: 1772-1777
- DOI
  10.1039/d0sc06056a
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17H06091
[Journal Article] Highly Modified Lanostane Triterpenes from the Wood-Rot Basidiomycete Ganoderma colossus: Comparative Chemical Investigations of Natural and Artificially Cultivated Fruiting Bodies and Mycelial Cultures2020
- Author(s)
  Isaka Masahiko、Chinthanom Panida、Choeyklin Rattaket、Thummarukcharoen Tuksaporn、Rachtawee Pranee、Sappan Malipan、Srichomthong Kitlada、Fujii Ryoma、Kawashima Kyohei、Mori Seiji
- Journal Title
  
  Journal of Natural Products
  
  Volume: 83 Issue: 7 Pages: 2066-2075
- DOI
  10.1021/acs.jnatprod.9b00947
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-18H04233, KAKENHI-PROJECT-18K05072
[Journal Article] Iridium‐Catalyzed Enantioselective Transfer Hydrogenation of Ketones Controlled by Alcohol Hydrogen‐Bonding and sp 3 ‐C?H Noncovalent Interactions2020
- Author(s)
  Murayama Hiroaki、Heike Yoshito、Higashida Kosuke、Shimizu Yohei、Yodsin Nuttapon、Wongnongwa Yutthana、Jungsuttiwong Siriporn、Mori Seiji、Sawamura Masaya
- Journal Title
  
  Advanced Synthesis & Catalysis
  
  Volume: 362 Issue: 21 Pages: 4655-4661
- DOI
  10.1002/adsc.202000615
- NAID
  120007168181
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-18H04233, KAKENHI-PROJECT-20H02729, KAKENHI-PROJECT-18H03906
[Journal Article] Vanadyl Species Catalyzed 1,2-Oxidative Trifluoromethylation of Unactivated Olefins2020
- Author(s)
  Chen Chien-Tien、Chen Ya-Pei、Tsai Bang-You、Liao Yi-Ya、Su Yu-Cheng、Chen Tsung-Cheng、Lu Chia-Hao、Fujii Ryoma、Kawashima Kyohei、Mori Seiji
- Journal Title
  
  ACS Catalysis
  
  Volume: 10 Issue: 6 Pages: 3676-3683
- DOI
  10.1021/acscatal.0c00370
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05072, KAKENHI-PUBLICLY-18H04233
[Journal Article] Benzophenone and chromone derivatives and their dimers from the scale-insect pathogenic fungus Orbiocrella petchii BCC 513772019
- Author(s)
  Isaka Masahiko、Palasarn Somporn、Choowong Wilunda、Kawashima Kyohei、Mori Seiji、Mongkolsamrit Suchada、Thanakitpipattana Donnaya
- Journal Title
  
  Tetrahedron
  
  Volume: 75 Issue: 45 Pages: 130646-130646
- DOI
  10.1016/j.tet.2019.130646
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05072, KAKENHI-PUBLICLY-18H04233
[Journal Article] Theoretical Investigations of Rh-Catalyzed Asymmetric 1,4-Addition to Enones using Planar-Chiral Phosphine-Olefin Ligands2019
- Author(s)
  Kawashima, K.; Sato, T.; Ogasawara, M.; Kamikawa, K.; Mori, S.
- Journal Title
  
  J. Comput. Chem.
  
  Volume: 40 Issue: 1 Pages: 113-118
- DOI
  10.1002/jcc.25550
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K19080, KAKENHI-PUBLICLY-18H04233, KAKENHI-PUBLICLY-18H04269, KAKENHI-PROJECT-18H01979, KAKENHI-PROJECT-18H01983, KAKENHI-PROJECT-16K13956
[Journal Article] The effect of π-π stacking interaction of the indole ring with the coordinated phenoxyl radical in a nickel(II)-salen type complex. Comparison with the corresponding Cu(II) complex2019
- Author(s)
  Oshita Hiromi、Suzuki Takashi、Kawashima Kyohei、Abe Hitoshi、Tani Fumito、Mori Seiji、Yajima Tatsuo、Shimazaki Yuichi
- Journal Title
  
  Dalton Transactions
  
  Volume: 48 Issue: 32 Pages: 12060-12069
- DOI
  10.1039/c9dt01887e
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K05072, KAKENHI-PROJECT-18K05087
[Journal Article] Cavity Closure of 2-Hydroxypropyl-β-Cyclodextrin: Replica Exchange Molecular Dynamics Simulations2019
- Author(s)
  Kerdpol Khanittha、Kicuntod Jintawee、Wolschann Peter、Mori Seiji、Rungnim Chompoonut、Kunaseth Manaschai、Okumura Hisashi、Kungwan Nawee、Rungrotmongkol Thanyada
- Journal Title
  
  Polymers
  
  Volume: 11 Issue: 1 Pages: 145-145
- DOI
  10.3390/polym11010145
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-18H04233
[Journal Article] π‐π Stacking Interaction in an Oxidized CuII‐salen Complex with a Side Chain Indole Ring. An Approach to the Function of the Tryptophan in the Active Site of Galactose Oxidase2019
- Author(s)
  Oshita Hiromi、Suzuki Takashi、Kawashima Kyohei、Abe Hitoshi、Tani Fumito、Mori Seiji、Yajima Tatsuo、Shimazaki Yuichi
- Journal Title
  
  Chemistry A European Journal
  
  Volume: 印刷中 Issue: 32 Pages: 7649-7658
- DOI
  10.1002/chem.201900733
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-16K05716, KAKENHI-PROJECT-18K05072, KAKENHI-PROJECT-18K05087
[Journal Article] Nickel-catalyzed decarbonylation of N-acylated N-heteroarenes2019
- Author(s)
  Morioka, T.; Nakatani, S.; Sakamoto, Y.; Kodama, T.; Ogoshi, S.; Chatani, N.; Tobisu, M.
- Journal Title
  
  Chemical Science
  
  Volume: 10 Issue: 27 Pages: 6666-6671
- DOI
  10.1039/c9sc02035g
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PUBLICLY-18H04259, KAKENHI-PROJECT-17H06091
[Journal Article] Computational Modelling Study on the Pseudoazurin Type?1 Cu Site2019
- Author(s)
  Taborosi Attila、Yamaguchi Takahide、Mori Seiji、Kohzuma Takamitsu
- Journal Title
  
  JPS Conference Proceeding
  
  Volume: 25 Pages: 01106-01106
- DOI
  10.7566/jpscp.25.011006
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PUBLICLY-18H04233, KAKENHI-PROJECT-18K05072
[Journal Article] QM/MM Investigation for Protonation States in a Bilin Reductase PcyA-Biliverdin IXalpha Complex2018
- Author(s)
  Eri Iijima, Matthew Paul Gleeson, Masaki Unno, Seiji Mori
- Journal Title
  
  ChemPhysChem
  
  Volume: 印刷中 Issue: 15 Pages: 1809-1813
- DOI
  10.1002/cphc.201800031
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05411, KAKENHI-PROJECT-18K05072, KAKENHI-PUBLICLY-18H04233
[Journal Article] Enantiocontrol by assembled attractive interactions in copper-catalyzed asymmetric direct alkynylation of α-ketoesters with terminal alkynes: OH-O/sp3-CH-O two-point hydrogen bonding combined with dispersive attractions2018
- Author(s)
  Schwarzer Martin C.、Fujioka Akane、Ishii Takaoki、Ohmiya Hirohisa、Mori Seiji、Sawamura Masaya
- Journal Title
  
  Chemical Science
  
  Volume: 9 Issue: 14 Pages: 3484-3493
- DOI
  10.1039/c8sc00527c
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-15H05801, KAKENHI-PUBLICLY-18H04233, KAKENHI-PROJECT-18H03906
[Journal Article] Recent Advances for Reaction Mechanisms of Metal-Catalyzed Activations of Carbon-Containing Bonds with the Aid of Density Functional Calculations2018
- Author(s)
  Mori Seiji
- Journal Title
  
  Bull. Jpn. Soc. Coord. Chem.
  
  Volume: 72 Issue: 0 Pages: 15-29
- DOI
  10.4019/bjscc.72.15
- NAID
  130007622303
- ISSN
  1882-6954, 1883-1737
- Year and Date
  2018-11-30
- Language
  Japanese
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PUBLICLY-18H04233
[Journal Article] Exploring the full catalytic cycle of rhodium(I)-BINAP-catalysed isomerisation of allylic amines: a graph theory approach for path optimisation2017
- Author(s)
  Yoshimura Takayoshi、Maeda Satoshi、Taketsugu Tetsuya、Sawamura Masaya、Morokuma Keiji、Mori Seiji
- Journal Title
  
  Chemical Science
  
  Volume: 8 Issue: 6 Pages: 4475-4488
- DOI
  10.1039/c7sc00401j
- NAID
  120006324922
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-15H05801, KAKENHI-PUBLICLY-16H01001
[Journal Article] Exploring Full Catalytic Cycle of Rhodium(I)-BINAP Catalyzed Isomerisation of Allylic Amines: A Graph Theoretical Approach for Path Optimisation2017
- Author(s)
  Takayoshi Yoshimura, Satoshi Maeda, Tetsuya Taketsugu, Masaya Sawamura, Keiji Morokuma, Seiji Mori
- Journal Title
  
  Chemical Science
  
  Volume: 印刷中
- Peer Reviewed / Acknowledgement Compliant / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-15H00913
[Journal Article] Characterization of Group 10-Metal-p-Substituted Phenoxyl Radical Complexes with Schiff Base Ligands.2017
- Author(s)
  Oshita Hiromi、Kikuchi Misa、Mieda Kaoru、Ogura Takashi、Yoshimura Takayoshi、Tani Fumito、Yajima Tatsuo、Abe Hitoshi、Mori Seiji、Shimazaki Yuichi
- Journal Title
  
  ChemistrySelect
  
  Volume: 2 Issue: 31 Pages: 10221-10231
- DOI
  10.1002/slct.201701986
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-16K05716, KAKENHI-PUBLICLY-16H01001
[Journal Article] Asymmetric Synthesis of β‐Lactams through Copper‐Catalyzed Alkyne‐Nitrone Coupling with Prolinol‐Phosphine Chiral Ligand2017
- Author(s)
  Yurie Takayama, Takaoki Ishii, Hirohisa Ohmiya, Tomohiro Iwai, Martin C. Schwarzer, Seiji Mori, Tohru Taniguchi, Kenji Monde, Masaya Sawamura
- Journal Title
  
  Chem. Eur. J.
  
  Volume: 23 Issue: 35 Pages: 8400-8404
- DOI
  10.1002/chem.201702070
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PUBLICLY-16H01001, KAKENHI-PROJECT-15H03111, KAKENHI-PROJECT-15H03803, KAKENHI-PROJECT-16K13988
[Journal Article] Characterization of the one-electron oxidized Cu(II)-salen complexes with a side chain aromatic ring: the effect of the indole ring on the Cu(II)-phenoxyl radical species2017
- Author(s)
  Oshita Hiromi、Yoshimura Takayoshi、Mori Seiji、Tani Fumito、Shimazaki Yuichi、Yamauchi Osamu
- Journal Title
  
  Journal of Biological Inorganic Chemistry
  
  Volume: 23 Issue: 1 Pages: 51-59
- DOI
  10.1007/s00775-017-1508-6
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-16K05716, KAKENHI-PUBLICLY-16H01001
[Journal Article] Combined Theoretical and Experimental Studies of Nickel-Catalyzed Cross-Coupling of Methoxyarenes with Arylboronic Esters via C-O Bond Cleavage2017
- Author(s)
  Martin C Schwarzer, Ryosuke Konno, Takayuki Hojo, Akimichi Ohtsuki, Keisuke Nakamura, Ayaka Yasutome, Hiroaki Takahashi, Toshiaki Shimasaki, Mamoru Tobisu, Naoto Chatani, Seiji Mori
- Journal Title
  
  J. Am. Chem. Soc.
  
  Volume: 139 Issue: 30 Pages: 10347-10358
- DOI
  10.1021/jacs.7b04279
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PUBLICLY-16H01001, KAKENHI-PUBLICLY-16H01022, KAKENHI-PROJECT-17H06091
[Journal Article] Exploring Full Catalytic Cycle of Rhodium(I)-BINAP Catalyzed Isomerisation of Allylic Amines: A Graph Theoretical Approach for Path Optimisation2017
- Author(s)
  Takayoshi Yoshimura, Satoshi Maeda, Tetsuya Taketsugu, Masaya Sawamura, Keiji Morokuma, Seiji Mori
- Journal Title
  
  Chemical Science
  
  Volume: 印刷中
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PUBLICLY-16H01001
[Journal Article] Investigation of substitution effect on fluorescence properties of Zn 2+-selective ratiometric fluorescent compounds: 2-(2′-Hydroxyphenyl) benzimidazole derivatives2016
- Author(s)
  Kazuhiro Akutsu, Seiji Mori, Kenichi Shinmei, Hiroki Iwase, Yoshiharu Nakano, Yuki Fujii
- Journal Title
  
  Talanta
  
  Volume: 146 Pages: 575-584
- DOI
  10.1016/j.talanta.2015.09.001
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K05411, KAKENHI-PUBLICLY-15H00913
[Journal Article] J-PARCで見えたもの2016
- Author(s)
  瀬戸秀紀, 高木成幸, 海野昌喜, 森一広
- Journal Title
  
  月刊　化学
  
  Volume: 171 Pages: 70-71
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K07261
[Journal Article] The molecular mechanism of palladium-catalysed cyanoesterification of methyl cyanoformate onto norbornene2016
- Author(s)
  Takuya Ishitsuka, Yasuhiro Okuda, Robert K. Szilagyi, Seiji Mori, and Yasushi Nishihara
- Journal Title
  
  Dalton Transactions
  
  Volume: 45 Issue: 18 Pages: 7786-7793
- DOI
  10.1039/c6dt00341a
- Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-15H00913, KAKENHI-PROJECT-15J00293
[Journal Article] The Origin of Exo-Selectivity in Methyl Cyanoformate Addition onto the C=C Bond of Norbornene in Pd-Catalyzed Cyanoesterification2014
- Author(s)
  Y. Okuda, R. Szilagyi, S. Mori, and Y. Nishihara
- Journal Title
  
  Dalton Transaction
  
  Volume: 43 Issue: 25 Pages: 9537-9548
- DOI
  10.1039/c4dt00839a
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550119, KAKENHI-PUBLICLY-25105707
[Journal Article] Experimental and Theoretical Studies on the Platinum-Mediated Selective C(sp)－Si Bond Cleavage of Alkynylsilanes2014
- Author(s)
  Yasuhiro Okuda, Yuya Ishiguro, Seiji Mori, Kiyohiko Nakajima, Yasushi Nishihara
- Journal Title
  
  Organometallics
  
  Volume: 33 Issue: 7 Pages: 1878-1889
- DOI
  10.1021/om5002588
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-25105707
[Journal Article] Mechanistic Insights into the Catalytic Reaction of Plant Allene Oxide Synthase (pAOS) via QM and QM/MM Calculations2014
- Author(s)
  Tuanjai Somboon, Jun Ochiai, Witcha Treesuwan, M. Paul Gleeson, Supa Hannongbua,Seiji Mori
- Journal Title
  
  J. Mol. Graph. Model.
  
  Volume: 52 Pages: 20-29
- DOI
  10.1016/j.jmgm.2014.05.012
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PUBLICLY-25105707
[Journal Article] Facile Estimation of Catalytic Activity and Selectivities in Copolymerization of Propylene Oxide with Carbon Dioxide Mediated by Metal Complexes with Planer Tetradentate Ligand2014
- Author(s)
  Takahiro Ohkawara, Kohei Suzuki, Koji Nakano, Seiji Mori, and Kyoko Nozaki
- Journal Title
  
  J. Am. Chem. Soc.
  
  Volume: 136 Issue: 30 Pages: 10728-10735
- DOI
  10.1021/ja5046814
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PUBLICLY-25105707, KAKENHI-PROJECT-25870213
[Journal Article] Redox Chemistry of Nickel(II)-Complexes Supported by a Series of Non-innocent β-Diketiminate Ligands2014
- Author(s)
  June Takaichi, Yuma Morimoto, Kei Ohkubo, Chizu Shimokawa, Takayuki Hojo, Seiji Mori, Haruyasu Asahara, Hideki Sugimoto, Nobutaka Fujieda, Nagatoshi Nishiwaki, Shunichi Fukuzumi, and Shinobu Itoh
- Journal Title
  
  Inorganic Chemistry
  
  Volume: 53 Issue: 12 Pages: 6159-6169
- DOI
  10.1021/ic5006693
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PUBLICLY-25105707, KAKENHI-PROJECT-26288037, KAKENHI-PROJECT-26620154
[Journal Article] Theoretical Studies of Rhodium-Catalyzed Borylation of Nitriles through Cleavage of Carbon-Cyano Bonds2014
- Author(s)
  Hirotaka Kinuta, Hiroaki Takahashi, Mamoru Tobisu, Seiji Mori, and Naoto Chatani
- Journal Title
  
  Bull Chem Soc Jpn
  
  Volume: 87 Issue: 6 Pages: 655-669
- DOI
  10.1246/bcsj.20130332
- NAID
  130004059118
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PUBLICLY-25105707, KAKENHI-PLANNED-22105002, KAKENHI-PROJECT-23685021
[Journal Article] Cooperative Catalysis of Metal and O-H-O/sp3-C-H-O Two-point Hydrogen Bonds in Alcoholic Solvents: Copper-catalyzed Enantioselective Direct Alkynylation of Aldehydes with Terminal Alkynes2013
- Author(s)
  Takaoki Ishii, Ryo Watanabe, Toshimitsu Moriya, Hirohisa Ohmiya, Seiji Mori, Masaya Sawamura
- Journal Title
  
  Chem. Eur. J.
  
  Volume: 19 Issue: 40 Pages: 13547-13553
- DOI
  10.1002/chem.201301280
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24685015, KAKENHI-PUBLICLY-25105707, KAKENHI-PROJECT-25620072
[Journal Article] An efficient access to aspermytin A and oblongolide C through an intramolecular nitrile oxide-alkene [3+2] cycloaddition2013
- Author(s)
  Inoue A
- Journal Title
  
  Synlett
  
  Volume: 24 Issue: 01 Pages: 61-64
- DOI
  10.1055/s-0032-1317693
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23390026, KAKENHI-PUBLICLY-25105707, KAKENHI-PUBLICLY-23105507
[Journal Article] (165) An Osmium(III)/Osmium(V) Redox Couple Generating OsV(O)(OH) Center for cis-1,2-Dihydroxylation of Alkenes with H2O2: Os Complex with a Nitrogen- based Tetradentate Ligand2012
- Author(s)
  Shinobu Itoh, et al.
- Journal Title
  
  J Am. Chem. Soc.
  
  Volume: 134 Issue: 46 Pages: 19270-19280
- DOI
  10.1021/ja309566c
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22105007, KAKENHI-PROJECT-23350027, KAKENHI-PLANNED-24109015, KAKENHI-PUBLICLY-23105507
[Journal Article] Quantum chemical studies on the role of water microsolvation in interactions between group 12 metal species (Hg^<2+>, Cd^<2+>, and Zn^<2+>) and neutral and deprotonated cysteines2011
- Author(s)
  Seiji Mori, et al
- Journal Title
  
  Theor.Chem.Acc.
  
  Volume: 130 Issue: 2-3 Pages: 279-297
- DOI
  10.1007/s00214-011-0975-z
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-23105507
[Journal Article] UV Resonance Raman Studies on the Activation Mechanism of Human Hematopoietic Prostaglandin D_2 Synthase by a Divalent Cation, Mg^<2+>2010
- Author(s)
  Yoshiko Uchida, Yoshihiro Urade, Seiji Mori, Takamitsu Kohzuma
- Journal Title
  
  J.Inorg.Biochem. 104
  
  Pages: 331-340
- Data Source
  KAKENHI-PROJECT-19550004
[Journal Article] Density Functional Studies on Isomerization of Prostaglandin H_2 to Prostacyclin Catalyzed by Cytochrome P4502009
- Author(s)
  Tetsuya K.Yanai, Seiji Mori
- Journal Title
  
  Chem.Eur.J. 15
  
  Pages: 4464-4473
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038005
[Journal Article] Density Functional Studies on Isomerization of Prostaglandin H_2 to Prostacyclin Catalyzed by Cytochrome P4502009
- Author(s)
  Tetsuya K. Yanai, Seiji Mori
- Journal Title
  
  Chem.Eur.J. 15
  
  Pages: 4464-4473
- Data Source
  KAKENHI-PROJECT-19550004
[Journal Article] Density Functional Studies on Thromboxane Biosynthesis : Mechanism and Role of the Heme-Thiolate System2008
- Author(s)
  Tetsuya K. Yanai, Seiji Mori
- Journal Title
  
  Chem.Asian J. 3
  
  Pages: 1900-1911
- Data Source
  KAKENHI-PROJECT-19550004
[Presentation] モリブデン-ゲルミリン錯体によるカルボニル化合物のヒドロホウ素化反応の理論的研究2023
- Author(s)
  清水雄仁、Christof Israel Marbella Fontanilla、長田浩一、橋本久子、森聖治
- Organizer
  日本化学会第103春季年会(2023)
- Data Source
  KAKENHI-PROJECT-21K05016
[Presentation] パラジウム触媒による[3+2]環化付加反応を含むベンジル及びメタ炭素-水素結合活性化反応に関する理論的研究2022
- Author(s)
  吉元理江、Attila Taborosi、Qiyuan He、阿野勇介、茶谷直人、森聖治
- Organizer
  錯体化学会第72回討論会
- Data Source
  KAKENHI-PROJECT-21K05016
[Presentation] パラジウム触媒を用いたマレイミドの[3+2]環化付加反応における 2-メチルベンズアミド類の窒素上の配向基効果に関する理論的研究2022
- Author(s)
  吉元理江、Attila Taborosi、Qiyuan He、阿野勇介、茶谷直人、森聖治
- Organizer
  化学反応経路探索のニューフロンティア2022
- Data Source
  KAKENHI-PROJECT-21K05016
[Presentation] パラジウム触媒を用いた四置換ビニルシランの檜山カップリングに関する理論的研究2022
- Author(s)
  大塚悠斗、西原　康師、森聖治
- Organizer
  日本コンピュータ化学会2022年秋季年会in 長野
- Data Source
  KAKENHI-PROJECT-21K05016
[Presentation] キラルなバナジル触媒によるオレフィンのエナンチオ選択的 1,2-オキシトリフルオロメチル化反応における遷移状態の相互作用エネルギー分割解析2022
- Author(s)
  清水雄仁、Chien-Tien Chen、森　聖治
- Organizer
  化学反応経路探索のニューフロンティア2022
- Data Source
  KAKENHI-PROJECT-21K05016
[Presentation] Combined DFT and experimental studies on the importance of noncovalent interactions in vanadium-catalyzed oxidative trifluoromethylation reactions of olefins2022
- Author(s)
  Seiji Mori、Chien-Tien Chen
- Organizer
  WATOC 2020
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21K05016
[Presentation] ニッケル触媒による脱カルボニル化を含む塩化アシルのシアノ化反応に関する理論的研究2022
- Author(s)
  穂積玲於、川島恭平、西原康師、森聖治
- Organizer
  錯体化学会第72回討論会
- Data Source
  KAKENHI-PROJECT-21K05016
[Presentation] キラル1,2-ジアミン触媒を用いるβ位に官能基を有さない第一級アルコールの速度論的光学分割2022
- Author(s)
  酒井直樹、小島嵩平、森　聖治、折山　剛
- Organizer
  日本化学会第102春季年会 (2022)
- Data Source
  KAKENHI-PROJECT-21K05016
[Presentation] キラルなバナジウム触媒を用いた酸化的1,2-トリフルオロメチル化反応の理論的研究2022
- Author(s)
  藤井稜馬, Bang-You Tsai, Tsung-Cheng Chen, Chien-I Lein, Yu-Chang Chang, Pin-Xuan Tseng, Chin-Wei Chuang, Rachit Agarwal, Chan-Wei Hsu, Chien-Tien Chen, 森聖治
- Organizer
  日本化学会第102春季年会 (2022)
- Data Source
  KAKENHI-PROJECT-21K05016
[Presentation] パラジウム触媒によるAlkenyl Carboxylatesのクロスカップリング反応の理論的研究2022
- Author(s)
  岡本優悟,森　聖治
- Organizer
  日本化学会第102春季年会 (2022)
- Data Source
  KAKENHI-PROJECT-21K05016
[Presentation] The unfolding mechanism of Pseudoazurin determined by Small Angle Neutron Scattering and Molecular Dynamics simulation2021
- Author(s)
  Attila Taborosi, Takahide Yamaguchi, Seiji Mori, Takamitsu Kohzuma
- Organizer
  101st CSJ Annual Meeting
- Data Source
  KAKENHI-PROJECT-18K05072
[Presentation] Theoretical study on the asymmetric Michael addition of α-aminomaleimides to β-nitrostyrenes2021
- Author(s)
  酒井直樹,森聖治,折山剛,川島恭平
- Organizer
  令和3年度化学系学協会東北大会
- Data Source
  KAKENHI-PROJECT-21K05016
[Presentation] Computational Perspectives of Non-covalent Interactions in Transition　Metal- and Enzyme-catalyzed Reactions2021
- Author(s)
  森　聖治
- Organizer
  錯体化学会第７1回討論会
- Invited
- Data Source
  KAKENHI-PROJECT-21K05016
[Presentation] Theoretical Investigations of Palladium-Catalyzed Cross-Coupling of Alkenyl Carboxylates2021
- Author(s)
  岡本優悟,森　聖治
- Organizer
  日本コンピュータ化学会2021秋季年会
- Data Source
  KAKENHI-PROJECT-21K05016
[Presentation] Pd触媒による2-アルキルピリジン類の側鎖C(α)位のエナンチオ選択的直接アリル化反応に関する理論的研究2020
- Author(s)
  川島恭平、山本春奈、村上遼、佐野建太郎、岩井智弘、澤村正也、森聖治
- Organizer
  化学反応経路探索のニューフロンティア2020
- Data Source
  KAKENHI-PUBLICLY-18H04233
[Presentation] バナジウム触媒によるオレフィンの1,2-酸化的トリフルオロメチル化反応における実験的・理論的研究2020
- Author(s)
  藤井稜馬・川島恭平・森聖治・Su Yu-Cheng・Lu Chia-Hao・Lien Chien-I・Sagar Ramu・Chen Chien-Tien
- Organizer
  第10回CSJ化学フェスタ2020
- Data Source
  KAKENHI-PUBLICLY-18H04233
[Presentation] 3α-ジヒドロキシステロイドデヒドロゲナーゼ-5α-ジヒドロテストステロン複合体構造に関する分子動力学的研究2020
- Author(s)
  三ツ泉宏晃、森　聖治
- Organizer
  日本化学会　第100春季年会
- Data Source
  KAKENHI-PROJECT-18K05072
[Presentation] Combined MD and QM/MM Investigations of Hydride Reduction of 5α-dihydrotestosterone Catalyzed by human 3α-Hydroxysteroid dehydrogenase type 32020
- Author(s)
  Hiroaki Mitsuizumi, Seiji Mori
- Organizer
  5th International Symposium of Quantum Beam Science at Ibaraki University
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05072
[Presentation] 不斉配位子複合型ニトロキシルラジカル/銅協同触媒を用いるラセミ第2級アルコールの酸化的速度論的光学分割に関する理論的研究2019
- Author(s)
  川島　恭平・笹野　裕介・笠畑　洸希・岩渕　好治・森　聖治
- Organizer
  日本化学会第99春季年会
- Data Source
  KAKENHI-PUBLICLY-18H04233
[Presentation] Computational Insights into Structures and Reactions of Homogeneous and Enzymatic Catalysts2019
- Author(s)
  Seiji Mori
- Organizer
  The Organic & Biomolecular Chemistry conference
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05072
[Presentation] Mechanistic Insights into Metal-Catalyzed Highly Selective Homogeneous Organic Transformation Reactions2019
- Author(s)
  Seiji Mori
- Organizer
  The 10th International Conference of the Asian Consortium on Computational Materials Science (ACCMS-10)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-18H04233
[Presentation] Bridges between experiment and theory on catalytic functions2019
- Author(s)
  Seiji Mori
- Organizer
  1st IUPAP Conference on Computational Physics (CCP2019)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-18H04233
[Presentation] Computational Insights into Structures and Reactions of Homogeneous and Enzymatic Catalysts2019
- Author(s)
  Seiji Mori
- Organizer
  The Organic & Biomolecular Chemistry conference
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-18H04233
[Presentation] ridges between Experiment and Theory on Catalytic functions2019
- Author(s)
  Seiji Mori
- Organizer
  International Annual Symposium on Computational Science and Engineering (ANSCSE23)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05072
[Presentation] ビリン還元酵素PcyAが触媒するビリベルジンIX?の還元反応に関するONIOM法を用いた研究2019
- Author(s)
  三ツ泉　宏晃・飯島　愛璃・海野　昌喜・M. Paul　Gleeson・森　聖治
- Organizer
  日本化学会第99春季年会
- Data Source
  KAKENHI-PROJECT-18K05072
[Presentation] DFT Investigations of Oxidative Kinetic Resolution of Racemic Secondary Alcohols Using Chiral Ligand-Hybridized Nitroxyl Radical/Copper Cooperative Catalysis2019
- Author(s)
  Kyohei Kawashima, Seiji Mori
- Organizer
  2nd ICReDD International Symposium-Toward Interdisciplinary Research Guided by Theory and Calculation
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-18H04233
[Presentation] ビリン還元酵素PcyAが触媒するビリベルジンIX?の還元反応に関するONIOM法を用いた研究2019
- Author(s)
  三ツ泉　宏晃・飯島　愛璃・海野　昌喜・M. Paul　Gleeson・森　聖治
- Organizer
  日本化学会第99春季年会
- Data Source
  KAKENHI-PUBLICLY-18H04233
[Presentation] Bridges between experiment and theory on catalytic functions2019
- Author(s)
  Seiji Mori
- Organizer
  31st IUPAP Conference on Computational Physics (CCP2019)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05072
[Presentation] DFT Investigations of Oxidative Kinetic Resolution of Racemic Secondary Alcohols Using Chiral Ligand-Hybridized Nitroxyl Radical/Copper Cooperative Catalysis2019
- Author(s)
  川島　恭平, 笹野　裕介, 小暮　直貴, 笠畑　洸希, 岩渕　好治, 森　聖治
- Organizer
  錯体化学会第６９回討論会
- Data Source
  KAKENHI-PUBLICLY-18H04233
[Presentation] Mechanistic Insights into Metal Catalyzed Highly Selective Organic Transformation Reactions2018
- Author(s)
  Seiji Mori
- Organizer
  22nd International Annual Symposium on Computational Science and Engineering
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-18H04233
[Presentation] Bridges Between Experiment And Theory On Catalytic Functions2018
- Author(s)
  Seiji Mori
- Organizer
  Computer Aided Drug Design (CADD) 2018 Seminar and Workshop
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05072
[Presentation] 不斉配位子複合型ニトロキシルラジカル/銅協同触媒を用いるラセミ第2級アルコールの酸化的速度論的光学分割に関する理論的研究2018
- Author(s)
  川島恭平・笹野裕介・小暮直貴・笠畑洸希・岩渕好治・森聖治
- Organizer
  第12回分子科学討論会2018福岡
- Data Source
  KAKENHI-PUBLICLY-18H04233
[Presentation] Mechanistic Insights into Metal-Catalyzed Highly Selective Organic Transformation Reactions2018
- Author(s)
  Seiji Mori
- Organizer
  The 28th Canadian Symposium on Theoretical and Computational Chemistry
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-18H04233
[Presentation] Bridges Between Experiment And Theory On Catalytic Functions2018
- Author(s)
  Seiji Mori
- Organizer
  Computer Aided Drug Design (CADD) 2018 Seminar and Workshop
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-18H04233
[Presentation] 不斉配位子複合型ニトロキシルラジカル/銅協奏触媒を用いるラセミ第2級アルコールの酸化的速度論的光学分割に関する理論的研究2018
- Author(s)
  ○川島　恭平・笹野　裕介・小暮　直貴・笠畑　洸希・岩渕　好治・森　聖治
- Organizer
  日本化学会第98春季年会
- Data Source
  KAKENHI-PUBLICLY-16H01001
[Presentation] 酵素反応機構解析における量子化学の役割-シトクロムP450およびプロスタグランジン合成酵素を例に-2018
- Author(s)
  森　聖治
- Organizer
  生物学・光源・物性研究者による量子生物学勉強会
- Invited
- Data Source
  KAKENHI-PROJECT-15K05411
[Presentation] Mechanistic Insights into Molecular Activation Reactions Based on Computational Chemistry2017
- Author(s)
  Seiji Mori
- Organizer
  10th International Conference on Computational Physics
- Place of Presentation
  Macau, China
- Year and Date
  2017-02-18
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-15H00913
[Presentation] Structural QM/MM Investigation of Bilin Reductase PcyA-substrate complex2017
- Author(s)
  Eri Iijima, M. Paul Gleeson, Masaki Unno, Seiji Mori
- Organizer
  2nd International Symposium of Quantum Beam Science at Ibaraki University
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05411
[Presentation] Theoretical Investigation of Enantioselective 1,4-Addition using Rhodium Catalysts with Planar-Chiral Phosphine-Olefin Ligands2017
- Author(s)
  Takehiro Sato,Ken Kamikawa,Masamichi Ogasawara,Seiji Mori
- Organizer
  錯体化学会第６７回討論会
- Data Source
  KAKENHI-PUBLICLY-16H01001
[Presentation] Theoretical Studies on Pd-Catalyzed Enantioselective Direct Allylation of 2-Alkylpyridines at the Side Chain α-Position2017
- Author(s)
  Kyohei Kawashima,Ryo Murakami,Kentaro Sano,Tomohiro Iwai,Masaya Sawamura,Seiji Mori
- Organizer
  錯体化学会第６７回討論会
- Data Source
  KAKENHI-PUBLICLY-16H01001
[Presentation] Theoretical Investigations of PGH2 to PGD2 Isomerization Reaction by Lipocalin-Type Prostaglandin D Synthase using Quantum Mechanics/Molecular Mechanics Method2017
- Author(s)
  SATO, Takehiro; SHIMAMOTO, Shigeru; ARITAKE, Kosuke; URADE, Yoshihiro; MORI, Seiji
- Organizer
  日本化学会第97春季年会
- Place of Presentation
  横浜
- Year and Date
  2017-03-16
- Data Source
  KAKENHI-PROJECT-15K05411
[Presentation] Rh(I)-BINAP 触媒によるアリルアミンの異性化経路の探索とグラフを用いた経路最適化2017
- Author(s)
  吉村誠慶, 前田理, 澤村正也, 武次徹也, 諸熊奎治, 森聖治
- Organizer
  第20回理論化学討論会
- Data Source
  KAKENHI-PUBLICLY-16H01001
[Presentation] QM/MM法によるビリン還元酵素基質複合体の構造に関する研究2017
- Author(s)
  飯島愛璃，Gleeson Paul，海野昌喜，森聖治
- Organizer
  第11回分子科学討論会2017仙台
- Data Source
  KAKENHI-PROJECT-15K05411
[Presentation] Experimental and computational investigations on the enantioselective alkynylation of α-ketoesters via copper catalysis2017
- Author(s)
  Martin Christoph Schwarzer, Takaoki Ishii, Akane Fujioka, Hirohisa Ohmiya, Masaya Sawamura, Seiji Mori
- Organizer
  11th Triennial Congress of the World Association of Theoretical and Computational Chemists
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-16H01001
[Presentation] Theoretical Studies of Molecular Activation Reactions -Mechanistic Insights and Rational Design of Catalysis-2017
- Author(s)
  Seiji Mori
- Organizer
  Fifth Modeling of Chemical and Biological (Re)activity
- Place of Presentation
  Chennai, India
- Year and Date
  2017-02-18
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-15H00913
[Presentation] Theoretical Study of Nickel-Catalyzed Cross-Coupling of Methoxyarenes with Arylboronic Esters via C-O Bond Cleavage2017
- Author(s)
  Martin C Schwarzer, Ryosuke Konno, Takayuki Hojo, Akimichi Ohtsuki, Keisuke Nakamura, Ayaka Yasutome, Hiroaki Takahashi, Toshiaki Shimasaki, Mamoru Tobisu, Naoto Chatani, and Seiji Mori
- Organizer
  Big Data in Chemistry 53rd Symposium on Theoretical Chemistry
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-16H01001
[Presentation] Experimental and comptutational investigations on the enantioselective alkynylation of α-ketosesters via copper catalysis2017
- Author(s)
  Martin C Schwarzer, Takaoki Ishii , Hirohisa Ohmiya, Masaya Sawamura, Seiji Mori
- Organizer
  日本化学会第97春季年会
- Place of Presentation
  横浜
- Year and Date
  2017-03-16
- Data Source
  KAKENHI-PUBLICLY-16H01001
[Presentation] Theoretical Studies of Molecular Activation Reactions -Mechanistic Insights and Rational Design of Catalysis-2017
- Author(s)
  Seiji Mori
- Organizer
  Fifth Modeling of Chemical and Biological (Re)activity
- Place of Presentation
  Chennai, India
- Year and Date
  2017-02-18
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-16H01001
[Presentation] Mechanistic Insights Into Transition-Metal Catalyzed Molecular Activation Reactions2017
- Author(s)
  Seiji Mori
- Organizer
  eighth edition of Asia-Pacific Conference of Theoretical and Computational Chemistry
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-16H01001
[Presentation] Theoretical Investigations of PGH2 to PGD2 Isomerization Reaction by Lipocalin-Type Prostaglandin D Synthase using Quantum Mechanics/Molecular Mechanics Method2017
- Author(s)
  SATO, Takehiro; SHIMAMOTO, Shigeru; ARITAKE, Kosuke; URADE, Yoshihiro; MORI, Seiji
- Organizer
  日本化学会第97春季年会
- Place of Presentation
  横浜
- Year and Date
  2017-03-16
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-15H00913
[Presentation] Mechanistic Insights into Molecular Activation Reactions Based on Computational Chemistry2017
- Author(s)
  Seiji Mori
- Organizer
  10th International Conference on Computational Physics
- Place of Presentation
  Macau, China
- Year and Date
  2017-01-16
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-16H01001
[Presentation] Computational study of Ullmann coupling catalyzed by metal atoms2017
- Author(s)
  Keita Urushibata, Ruiqin Zhang, and Seiji Mori
- Organizer
  10th International Conference on Computational Physics
- Place of Presentation
  Macau, China
- Year and Date
  2017-01-16
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-16H01001
[Presentation] Computational Studies of Biosyntheses of Prostaglandins and Related Signaling Compounds2017
- Author(s)
  Seiji Mori
- Organizer
  6th Georgian Bay International Conference on Bioinorganic Chemistry
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-16H01001
[Presentation] Computational Studies of Biosyntheses of Prostaglandins and Related Signaling Compounds2017
- Author(s)
  Seiji Mori
- Organizer
  6th Georgian Bay International Conference on Bioinorganic Chemistry
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05411
[Presentation] Graph theory approach in exploration of reaction path networks: Rh(I)BINAP-catalyzed isomerization of allylic amine2017
- Author(s)
  Takayoshi Yoshimura, Satoshi Maeda, Tetsuya Taketsugu, Masaya Sawamura, Keiji Morokuma, Seiji Mori
- Organizer
  11th Triennial Congress of the World Association of Theoretical and Computational Chemists
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-16H01001
[Presentation] Experimental and computational investigations on the enantioselective alkynylation of α-ketoesters via copper catalysis2017
- Author(s)
  Martin Christoph Schwarzer, Takaoki Ishii, Akane Fujioka, Hirohisa Ohmiya, Masaya Sawamura, Seiji Mori
- Organizer
  11th European Conference on Theoretical and Computational Chemistry
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-16H01001
[Presentation] Exploring Full Catalytic Cycle of Rh(I)-BINAP Catalyzed Isomerization of Allylic Amines2016
- Author(s)
  Takayoshi Yoshimura, Satoshi Maeda, Masaya Sawamura, Tetsuya Taketsugu, Keiji Morokuma, and Seiji Mori
- Organizer
  APCTCC-7
- Place of Presentation
  台湾、高雄
- Year and Date
  2016-01-25
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-15H00913
[Presentation] Experimental and Computational Investigations on the Enantioselective Alkynylation of α-Ketosesters via Copper Catalysis2016
- Author(s)
  Martin C. Schwarzer, Takaoki Ishii, Hirohisa Ohmiya, Masaya Sawamura, Seiji Mori
- Organizer
  The 10th International Symposium on Homogeneous Catalysis (ISHCXX)
- Place of Presentation
  Kyoto
- Year and Date
  2016-07-10
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-16H01001
[Presentation] Theoretical Studies of Molecular Activation Reactions-Mechanistic Insights and Rational Design of Catalysis-2016
- Author(s)
  Seiji Mori
- Organizer
  APCTCC-7
- Place of Presentation
  台湾、高雄
- Year and Date
  2016-01-25
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-15H00913
[Presentation] Theoretical Study on Ni(0)-Catalyzed Cross-Coupling of Methoxyarenes with Arylboronic Esters via C-O Bond Activation2016
- Author(s)
  Seiji Mori, Ryosuke Konno, Martin C. Schwarzer, H. Takahashi, Mamoru Tobisu, Naoto Chatani
- Organizer
  10th congress on Electronic Structure: Principles and Applications
- Place of Presentation
  Castellon de la Plana, Spain
- Year and Date
  2016-06-28
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-16H01001
[Presentation] The Wonder of Enzymes with Ingenious Mechanisms2016
- Author(s)
  Seiji Mori
- Organizer
  The 4th International Symposium for Young Chemists on Stimuli-Responsive Chemical Species for the Creation of Functional Molecules
- Place of Presentation
  大阪
- Year and Date
  2016-12-12
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-15H00913
[Presentation] Theoretical Insights into Molecular Activation Reactions2016
- Author(s)
  Seiji Mori
- Organizer
  Thai-Japan Symposium in Chemistry
- Place of Presentation
  Chiang Mai, Thailand
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05411
[Presentation] Introduction of Quantum Beam Science and Applications to Chemistry and Related Sciences2016
- Author(s)
  Seiji Mori
- Organizer
  8th International Kasetsart University Science and Technology Annual Research Symposium
- Place of Presentation
  Bangkok, Thailand
- Year and Date
  2016-06-02
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-15H00913
[Presentation] Theoretical Insights into Molecular Activation Reactions2016
- Author(s)
  Seiji Mori
- Organizer
  Thai-Japan Symposium in Chemistry
- Place of Presentation
  Chiang Mai, Thailand
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-16H01001
[Presentation] Theoretical Study of Nickel-Catalyzed Cross-Coupling of Methoxyarenes with Arylboronic Esters via C-O Bond Cleavage2016
- Author(s)
  Martin C. Schwarzer, Ryosuke Konno, H. Takahashi, Mamoru Tobisu, Naoto Chatani,Seiji Mori
- Organizer
  International Symposium on C-O Bond Activation
- Place of Presentation
  Himeji, Hyogo
- Year and Date
  2016-10-25
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-16H01001
[Presentation] Introduction of Quantum Beam Science and Applications to Chemistry and Related Sciences2016
- Author(s)
  Seiji Mori
- Organizer
  8th International Kasetsart University Science and Technology Annual Research Symposium
- Place of Presentation
  Bangkok, Thailand
- Year and Date
  2016-06-02
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-16H01001
[Presentation] Theoretical Studies on Palladium-Catalyzed exo-Selective Cyanoesterification of Methyl Cyanoformate onto Norbornene2016
- Author(s)
  Takuya Ishitsuka, Yasuhiro Okuda, Robert K. Szilagyi, Yasushi Nishihara, Seiji Mori
- Organizer
  International Symposium on C-O Bond Activation
- Place of Presentation
  Himeji, Hyogo
- Year and Date
  2016-10-25
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-16H01001
[Presentation] Thai-Japan Symposium in Chemistry2016
- Author(s)
  Seiji Mori
- Organizer
  Theoretical Insights into Molecular Activation Reactions
- Place of Presentation
  Chiang Mai, Thailand
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-15H00913
[Presentation] Computatinal study of Ullmann coupling catalyzed by a single metal atom2016
- Author(s)
  漆畑敬太、Rui-qin Zhang、森　聖治
- Organizer
  第３２回化学反応討論会
- Place of Presentation
  さいたま
- Year and Date
  2016-06-01
- Data Source
  KAKENHI-PUBLICLY-16H01001
[Presentation] Theoretical Studies of Molecular Activation Reactions-Mechanistic Insights and Rational Design of Catalysis-2016
- Author(s)
  Seiji Mori
- Organizer
  APCTCC 7
- Place of Presentation
  高雄、台湾
- Year and Date
  2016-01-25
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05411
[Presentation] Computational Studies on Mechanistic Insights Into Prostaglandin Synthases2015
- Author(s)
  Seiji Mori
- Organizer
  ICoBio 2015
- Place of Presentation
  Bogor, Indonesia
- Year and Date
  2015-08-05
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05411
[Presentation] Computational studies on complex mechanisms of organic and biological reactions2015
- Author(s)
  Seiji Mori
- Organizer
  International workshop on "Theoretical Chemistry on Functional Biomolecular Systems"
- Place of Presentation
  札幌
- Year and Date
  2015-02-10
- Invited
- Data Source
  KAKENHI-PUBLICLY-25105707
[Presentation] Theoretical Studies of Molecular Activation Reactions-Mechanistic Insights and Rational Design of Catalysis-,2015
- Author(s)
  Seiji Mori
- Organizer
  Molecular Designs for Advanced Materials: Workshop and Conference
- Place of Presentation
  Chiang Mai, Thailand
- Year and Date
  2015-11-24
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-15H00913
[Presentation] Computational Studies on Mechanistic Insights Into Prostaglandin Synthases2015
- Author(s)
  Seiji Mori
- Organizer
  ICoBio 2015
- Place of Presentation
  Bogor, Indonesia
- Year and Date
  2015-08-05
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-15H00913
[Presentation] Theoretical Studies on Biosynthesis of Prostaglandin G2 by Cyclooxygenase-22014
- Author(s)
  Seiji Mori
- Organizer
  ANSCSE 18
- Place of Presentation
  Pattaya, Thailand
- Invited
- Data Source
  KAKENHI-PUBLICLY-25105707
[Presentation] 反応機構解析に基づく二酸化炭素とエポキシドの交互共重合触媒の開発2014
- Author(s)
  大河原昂広, 中野幸司, 森聖治、野崎京子
- Organizer
  日本化学会第９４春季年会
- Place of Presentation
  名古屋
- Data Source
  KAKENHI-PUBLICLY-25105707
[Presentation] Computational studies on mechanistic insight into prostaglandin synthases2013
- Author(s)
  Seiji Mori
- Organizer
  Pure and Applied Chemistry International Conference 2013
- Place of Presentation
  Chon Buri, Thailand
- Year and Date
  2013-01-23
- Invited
- Data Source
  KAKENHI-PUBLICLY-23105507
[Presentation] Ni(II)ビス(β-ジケチミネート)錯体の構造および電子状態に関するDFT計算2013
- Author(s)
  北條貴之・高市準・森聖治・杉本秀樹・藤枝伸宇・伊東忍
- Organizer
  錯体化学会第６３回討論会
- Place of Presentation
  那覇
- Data Source
  KAKENHI-PUBLICLY-25105707
[Presentation] 理論化学の立場から生命化学と有機合成化学を見ると2013
- Author(s)
  森聖治
- Organizer
  日本化学会第９３春季年会
- Place of Presentation
  草津市
- Year and Date
  2013-03-22
- Invited
- Data Source
  KAKENHI-PUBLICLY-23105507
[Presentation] Quantum Chemical and Experimental Studies on Copper-catalyzed Enantioselective Direct Alkynylation of Aldehydes with Terminal Alkynes2013
- Author(s)
  Seiji Mori, R. Watanabe, T. Ishii ,T. Moriya, H. Ohmiya, M. Sawamura
- Organizer
  APCTCC-6
- Place of Presentation
  Gyeongju, South Korea
- Invited
- Data Source
  KAKENHI-PUBLICLY-25105707
[Presentation] シクロオキシゲナーゼ-2によるプロスタグランジンG2の生合成経路に関する酵素の効果の研究2013
- Author(s)
  吉村誠慶，Gleeson Paul，Hannongbua Supa，森聖治
- Organizer
  分子科学討論会2013
- Place of Presentation
  京都
- Data Source
  KAKENHI-PUBLICLY-25105707
[Presentation] Computational Studies of Mechanistic Insight into Prostaglandin Synthases2013
- Author(s)
  森聖治, 吉村誠慶, 北條貴之, 渡部良, 野内哲也
- Organizer
  2012年度　日本生物物理学会北海道支部例会
- Place of Presentation
  札幌市
- Invited
- Data Source
  KAKENHI-PUBLICLY-23105507
[Presentation] Rh(I)-BINAP触媒によるアリルアミンの1,3-不斉水素転位反応に関する理論的研究2013
- Author(s)
  吉村誠慶・前田理・澤村正也・諸熊奎治・森聖治
- Organizer
  錯体化学会第６３回討論会
- Place of Presentation
  那覇
- Data Source
  KAKENHI-PUBLICLY-25105707
[Presentation] Computational studies on C-C and C-H bond activation reactions in organic and biological chemistry2013
- Author(s)
  Seiji Mori
- Organizer
  2013 WFTCPC
- Place of Presentation
  Chon Buri, Thailand
- Invited
- Data Source
  KAKENHI-PUBLICLY-25105707
[Presentation] Pd(0)触媒によるシアノギ酸メチルを用いるノルボルナジエンのシアノエステル化に関する理論的研究2012
- Author(s)
  奥田靖浩・森聖治・石黒雄也・西原康師
- Organizer
  日本化学会第92春季年会
- Place of Presentation
  横浜市、慶応大学
- Year and Date
  2012-03-27
- Data Source
  KAKENHI-PUBLICLY-23105507
[Presentation] ロジウム触媒によるニトリルの脱シアノ的ボリル化反応2012
- Author(s)
  鳶巣守、衣田裕孝・喜多祐介・高橋弘旭・森聖治・茶谷直人
- Organizer
  日本化学会第92春季年会
- Place of Presentation
  横浜市、慶応大学
- Year and Date
  2012-03-25
- Data Source
  KAKENHI-PUBLICLY-23105507
[Presentation] Rh(I)-BINAP触媒アリルアミン不斉水素転移反応機構に関する理論的研究2012
- Author(s)
  監物義之・吉村誠慶・諸熊奎治・森聖治
- Organizer
  日本化学会第92春季年会
- Place of Presentation
  横浜市、慶応大学
- Year and Date
  2012-03-25
- Data Source
  KAKENHI-PUBLICLY-23105507
[Presentation] Recent Advances on Computational Studies of Mechanistic Insight into Prostaglandin Synthases2012
- Author(s)
  Seiji Mori
- Organizer
  (1) JST International Symposium on Multi-scale Simulation of Condensed-phase Reacting Systems
- Place of Presentation
  名古屋
- Year and Date
  2012-05-10
- Invited
- Data Source
  KAKENHI-PUBLICLY-23105507
[Presentation] Mechanistic insight into prostacyclin formation catalyzed by cytochrome P4502011
- Author(s)
  森聖治、渡部良, 北條貴之
- Organizer
  1st International symposium on molecular activation
- Place of Presentation
  淡路市
- Year and Date
  2011-11-09
- Data Source
  KAKENHI-PUBLICLY-23105507
[Presentation] AMBER force field parameterization of model iron-porphyrin complexes with density functional methods2011
- Author(s)
  Takayoshi Yoshimura, Seiji Mori
- Organizer
  14^<th> Asian Chemical Congress 2011
- Place of Presentation
  タイ・バンコク
- Year and Date
  2011-09-06
- Data Source
  KAKENHI-PUBLICLY-23105507
[Presentation] 力の定数行列に基づく分子力場パラメータの決定と鉄-ポルフィリン錯体への応用2011
- Author(s)
  吉村誠慶, 森聖治
- Organizer
  第5回分子科学討論会2011札幌
- Place of Presentation
  札幌市
- Year and Date
  2011-09-20
- Data Source
  KAKENHI-PUBLICLY-23105507
[Presentation] 分子動力学的手法を用いたプロスタサイクリン合成酵素と基質の複合体に関する研究2011
- Author(s)
  渡部良, 吉村誠慶, 北條貴之, 森聖治
- Organizer
  第5回分子科学討論会2011札幌
- Place of Presentation
  札幌市
- Year and Date
  2011-09-21
- Data Source
  KAKENHI-PUBLICLY-23105507
[Presentation] Molecular dynamics study on complex between prostacyclin synthetase and prostaglandin H_22011
- Author(s)
  Ryo Watanabe, Takayuki Houjou, Seiji Mori
- Organizer
  7^<th> congress of the International society for theoretical chemical physics
- Place of Presentation
  東京都、早稲田大学
- Year and Date
  2011-09-04
- Data Source
  KAKENHI-PUBLICLY-23105507
[Presentation] Computational Studies on Complex Organic/Biological Reaction Mechanisms2011
- Author(s)
  Seiji Mori
- Organizer
  14^<th> Asian Chemical Congress 2011
- Place of Presentation
  タイ・バンコク(招待講演)
- Year and Date
  2011-09-08
- Data Source
  KAKENHI-PUBLICLY-23105507
[Presentation] Quantum Chemical Studies on Axial Ligand Effect on Reactions Between Fe(III)-porphyrin Complexes with Endoperoxide2010
- Author(s)
  Seiji Mori, Jun Ochiai, Tetsuya K.Yanai, Tsunehiko Higuchi
- Organizer
  International Symposium on "Molecular Theory for Real Systems"
- Place of Presentation
  京都市
- Year and Date
  2010-01-07
- Data Source
  KAKENHI-PROJECT-20038005
[Presentation] プロスタグランジンH_2からプロスタグランジンD_2への異性化反応に関する理論的研究 : 塩基と水分子が反応性に与える影響2009
- Author(s)
  内記達哉, 山口直人, 高田俊和, 高妻孝光, 坂田文彦, 森聖治
- Organizer
  分子科学討論会2009
- Place of Presentation
  名古屋
- Data Source
  KAKENHI-PROJECT-19550004
[Presentation] Important insight into Reaction Mechanisms of Organic Syntheses and Bios theses from View of Computational Chemistry2009
- Author(s)
  Seiji Mori
- Organizer
  The International Symposium on Theory of Molecular Structure, Function and Reactivity
- Place of Presentation
  京都市
- Year and Date
  2009-07-20
- Data Source
  KAKENHI-PROJECT-20038005
[Presentation] Unusual Reactions Catalyzed by Cytochrome P450 : Density Functional Studies on Prostaglandin H_2 Isomerizations2009
- Author(s)
  Seiji Mori
- Organizer
  16th International Conference on Cytochrome P450
- Place of Presentation
  沖縄県名護市
- Year and Date
  2009-06-22
- Data Source
  KAKENHI-PROJECT-19550004
[Presentation] Important insight into Reaction Mechanisms of Organic Syntheses and Biosyntheses from View of Computational Chemistry(招待講演)2009
- Author(s)
  Seiji Mori
- Organizer
  The International Symposium on Theory of Molecular Structure, Function and Reactivity
- Place of Presentation
  京都市
- Year and Date
  2009-07-20
- Data Source
  KAKENHI-PROJECT-19550004
[Presentation] Unusual Reaction Catalyzed by Cytochrome P450 : Density Functional Studies on Prostacyclin Biosynthesis2009
- Author(s)
  Tetsuya K.Yanai, Seiji Mori
- Organizer
  The International Symposium on Theory of Molecular Structure, Function and Reactivity
- Place of Presentation
  京都市
- Year and Date
  2009-07-20
- Data Source
  KAKENHI-PROJECT-20038005
[Presentation] Unusual Reactions Catalyzed by Cytochrome P450 : Density Functional Studies on Prostaglandin H_2 Isomerizations2009
- Author(s)
  Seiji Mori, Tetsuya K. Yanai
- Organizer
  16th International Conference on Cytochrome P450
- Place of Presentation
  Nago, Okinawa, Japan
- Data Source
  KAKENHI-PROJECT-19550004
[Presentation] Important insight into Reaction Mechanisms of Organic Syntheses and Biosyntheses from View of Computational Chemistry2009
- Author(s)
  Seiji Mori
- Organizer
  The International Symposium on Theory of Molecular Structure, Function and Reactivity, Celebrating Prof. Morokuma's 75th birthday
- Place of Presentation
  Kyoto, Japan
- Year and Date
  2009-07-20
- Data Source
  KAKENHI-PROJECT-19550004
[Presentation] Theoretical Studies on Endoperoxide O-O Bond Cleavage Catalyzed by Iron Porphyrin Complexes2009
- Author(s)
  Jun Ochiai, Tetsuya K.Yanai, Seiji Mori, Tsunehiko Higuchi
- Organizer
  The International Symposium on Theory of Molecular Structure, Function and Reactivity
- Place of Presentation
  京都市
- Year and Date
  2009-07-20
- Data Source
  KAKENHI-PROJECT-20038005
[Presentation] シトクロムP450によるプロスタサイクリン生合成のモデル反応機構に関する理論的研究2008
- Author(s)
  森聖治, 野内哲也
- Organizer
  第58回錯体化学討論会
- Place of Presentation
  金沢
- Data Source
  KAKENHI-PROJECT-19550004
[Presentation] Theoretical studies on Isomerization of Prostaglandin H_22008
- Author(s)
  Seiji Mori
- Organizer
  6^<th> China-Japan Crossover Science Symposium
- Place of Presentation
  Zhengzhou, China
- Year and Date
  2008-10-23
- Data Source
  KAKENHI-PROJECT-20038005
[Presentation] Unusual Reactions Catalyzed by Cytochrome P450 : Density Functional Studies on Prostaglandin H_2 Isomerizations2008
- Author(s)
  Tetsuya K. Yanai, Seiji Mori
- Organizer
  4^<th> Asian Biological Inorganic Chemistry Conference
- Place of Presentation
  Jeju, Korea
- Data Source
  KAKENHI-PROJECT-19550004
[Presentation] Density functional studies on model isomerization reaction catalyzed by cytochrome P4502008
- Author(s)
  森聖治
- Organizer
  The 2^<nd> International Symposium on "Molecular Theory for Real Systems"
- Place of Presentation
  岡崎
- Year and Date
  2008-08-04
- Data Source
  KAKENHI-PROJECT-20038005
[Presentation] Theoretical studies on Isomerization of Prostaglandin H_22008
- Author(s)
  Seiji Mori
- Organizer
  6^<th> China-Japan Crossover Science Symposium
- Place of Presentation
  Zhengzhou, China
- Data Source
  KAKENHI-PROJECT-19550004
[Presentation] シトクロムP450によるプロスタサイクリン生合成のモデル反応機構に関する理論的研究2008
- Author(s)
  森聖治
- Organizer
  第58回錯体化学討論会
- Place of Presentation
  金沢大学
- Year and Date
  2008-09-20
- Data Source
  KAKENHI-PROJECT-19550004
[Presentation] Theoretical Studies on Model Reaction Mechanisms of Prostanoid Synthases2007
- Author(s)
  Seiji Mori, Tetsuya Yanai, Naoto Yamaguchi, Takamitsu Kohzuma, Toshikazu Takada, Fumihiko Sakata
- Organizer
  Third Asian-Pacific Conference of Theoretical and Computational Chemistry
- Place of Presentation
  Beijing, China
- Data Source
  KAKENHI-PROJECT-19550004
[Presentation] Theoretical studies on model reaction pathways of prostaglandin D_2/E_2 synthases2007
- Author(s)
  Seiji Mori, Naoto Yamaguchi, Takamitsu Kohzuma, Toshikazu Takada, Fumihiko Sakata
- Organizer
  International Conference on Heteroatom Chemistry-8
- Place of Presentation
  Riverside, CA, USA
- Data Source
  KAKENHI-PROJECT-19550004
[Presentation] プロスタグランジンD2/E2合成酵素反応機構のモデル系に関する理論的研究 (茨城大院・理工1, NECソフト2, 茨城大・理3, NEC, 2P0802007
- Author(s)
  山口直人, 森聖治, 高妻孝光, 高田俊和, 坂田文彦
- Organizer
  分子科学討論会2007
- Place of Presentation
  仙台
- Year and Date
  2007-09-18
- Data Source
  KAKENHI-PROJECT-19550004
[Presentation] シトクロムP450モデルによる、トロンボキサン生合成反応機構の理論的研究2007
- Author(s)
  野内哲也, 森聖治
- Organizer
  第57回錯体化学討論会
- Place of Presentation
  名古屋
- Year and Date
  2007-09-25
- Data Source
  KAKENHI-PROJECT-19550004
[Presentation] Theoretical Studies on Model Reaction Mechanisms of Prostanoid Synthases2007
- Author(s)
  Seiji Mori
- Organizer
  Third Asian-Pacific Conference of Theoretical and Computational Chemistry
- Place of Presentation
  中国,北京
- Year and Date
  2007-09-24
- Data Source
  KAKENHI-PROJECT-19550004
[Presentation] Theoretical studies on model reaction pathways of prostaglandin D_2/E_2 synthases2007
- Author(s)
  Seiji Mori
- Organizer
  International Conference on Heteroatom Chemistry-8
- Place of Presentation
  アメリカ,カリフォルニア, Riverside
- Year and Date
  2007-08-14
- Data Source
  KAKENHI-PROJECT-19550004
[Presentation] Computational Studies of Mechanistic Insight into Synthases of Prostaglandins and Related Signaling Compounds
- Author(s)
  Seiji Mori
- Organizer
  Vietnam Malaysian International Chemical Congress
- Place of Presentation
  Hanoi, Vietnam
- Year and Date
  2014-11-07 – 2014-11-09
- Invited
- Data Source
  KAKENHI-PUBLICLY-25105707
[Presentation] 鉄(III)ポルフィリン―チオレート錯体の構造と電子状態に関する研究
- Author(s)
  吉村　誠慶・内田　ひかる・落合　純・鈴木　潤・近藤　圭佑・樋口　恒彦・森　聖治
- Organizer
  日本化学会第95春季年会
- Place of Presentation
  船橋
- Year and Date
  2015-03-26 – 2015-03-29
- Data Source
  KAKENHI-PUBLICLY-25105707
[Presentation] Theoretical Studies on Palladium-Catalyzed exo-Selective Cyanoesterification of Methyl Cyanoformate onto Norbornene
- Author(s)
  Takuya Ishitsuka, Yasuhiro Okuda, Robert K. Szilagyi, Yasushi Nishihara, Seiji Mori
- Organizer
  The Second International Workshop on Computational Science and Engineering
- Place of Presentation
  Hong Kong
- Year and Date
  2014-12-13 – 2014-12-16
- Data Source
  KAKENHI-PUBLICLY-25105707
[Presentation] Exploring Full Catalytic Cycle of Rh(I)-BINAP Catalyzed Isomerization of Allylamines
- Author(s)
  Takayoshi Yoshimura, Satoshi Maeda, Masaya Sawamura, Tetsuya Taketsugu, Keiji Morokuma, Seiji Mori
- Organizer
  The 2nd international conference on organometallics and catalysis
- Place of Presentation
  Nara
- Year and Date
  2014-10-26 – 2014-10-29
- Data Source
  KAKENHI-PUBLICLY-25105707
[Presentation] Rh(I)-BINAP触媒によるアリルアミンの1,3-不斉水素転移反応に関する理論的研究
- Author(s)
  吉村誠慶, 前田理, 澤村正也, 武次徹也, 諸熊奎治, 森聖治
- Organizer
  日本コンピュータ化学会2014秋季年会
- Place of Presentation
  郡山
- Year and Date
  2014-10-18 – 2014-10-19
- Data Source
  KAKENHI-PUBLICLY-25105707
[Presentation] Computational Studies on Metal-mediated C-C and C-H Bond Cleavage Reactions in Organometallic/Bioinorganic Chemistry
- Author(s)
  Seiji Mori
- Organizer
  14 QSCP
- Place of Presentation
  Tamsui, Taiwan
- Year and Date
  2014-11-11 – 2014-11-17
- Data Source
  KAKENHI-PUBLICLY-25105707
[Presentation] パラジウム触媒を用いたノルボルネンのシアノエステル化反応におけるexo選択性の理論的解明
- Author(s)
  石塚拓也, 奥田靖浩, Robert K Szilagyi, 西原康師, 森聖治
- Organizer
  日本コンピュータ化学会2014秋季年会
- Place of Presentation
  郡山
- Year and Date
  2014-10-18 – 2014-10-19
- Data Source
  KAKENHI-PUBLICLY-25105707
[Presentation] Theoretical Studies of Molecular Activation Reactions -Mechanistic Insights and Rational Design of Catalysis-
- Author(s)
  Seiji Mori
- Organizer
  The Second International Workshop on Computational Science and Engineering
- Place of Presentation
  Hong Kong
- Year and Date
  2014-12-13 – 2014-12-16
- Invited
- Data Source
  KAKENHI-PUBLICLY-25105707

1. Unno Masaki (10359549)

# of Collaborated Projects: 2 results

# of Collaborated Products: 4 results
2. Chatani Naoto (30171953)

# of Collaborated Projects: 1 results

# of Collaborated Products: 3 results
3. 久保稔 (90392878)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
4. 阿野勇介 (20736813)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
5. 阿久津和宏 (60637297)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
6. 元川竜平 (50414579)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
7. Igarashi Keisuke

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
8. Horie Kazuki

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
9. Ikeda Atsushi

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
10. Hagiwara Yoshinori

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
11. Sugishima Masakazu

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
12. Wada Kei

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
13. Kusaka Katsuhiro

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
14. Yano Naomine

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
15. Nomura Takashi

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
16. Narikawa Rei

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
17. Agou Tomohiro

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
18. Hirata Kunio

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
19. Ago Hideo

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
20. JOUTSUKA Tatsuya

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
21. TOBISU Mamoru

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
22. 西原康師

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
23. 澤村正也

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
24. 小笠原正道

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
25. 大宮寛久

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
26. 島崎優一

# of Collaborated Projects: 0 results

# of Collaborated Products: 3 results
27. 立川仁典

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
28. 伊東忍

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Mori Seiji 森 聖治

MORI Seiji 森 聖治

森 聖治 モリ セイジ

Research Projects

Research Products

Co-Researchers

Mechanistic Insights into metal- and enzyme-catalyzed reactions using hybrid quantum chemical and information science approachesPrincipal Investigator

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Fluorescence detection of hydrogen-bonding strength using ESIPT-type fluorescent probe

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Theoretical Studies on Role of Enzymes in Regioselective Biosyntheses of Natural ProductsPrincipal Investigator

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Computational Analyses for extremely difficult substrate conversion reactionsPrincipal Investigator

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Development of Next-Generation Transformation Invonving Molecular Activation as a Key Step

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Theoretical design of Extremely Difficult and Selective Substrate Conversion ReactionsPrincipal Investigator

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Elucidation of Reaction Mechanism of Bili Reductase by Multiple Methods Mainly Neutron Structure Analysis

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Computational Studies on Functions and Reactions of Prostaglandin SynthasesPrincipal Investigator

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多元素が関わる酵素反応機構の計算化学的解明Principal Investigator

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量子化学計算に基づく分子活性化の活性種および反応機構の解明Principal Investigator

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金属触媒による不活性結合開裂に関する理論的研究Principal Investigator

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生理活性物質の生合成反応における酵素の役割Principal Investigator

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Review Section

Research Institution

Theoretical Studies on Mechanisms of Prostanoid BiosynthesesPrincipal Investigator

Principal Investigator

Project Period (FY)

Mori Seiji 森聖治

MORI Seiji 森聖治

森聖治モリセイジ