MAEDA SATOSHI 前田理

… Alternative Names

前田理マエダサトシ

MAEDA Satoshi 前田理

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Researcher Number	60584836
Other IDs
Affiliation (Current)	2025: 北海道大学, 理学研究院, 教授
Affiliation (based on the past Project Information) *help	2025: 北海道大学, 理学研究院, 教授 2018 – 2021: 北海道大学, 理学研究院, 教授 2013 – 2016: 北海道大学, 理学(系)研究科(研究院), 准教授 2014: 北海道大学, 理学研究院, 准教授 2012: 北海道大学, 理学(系)研究科(研究院), 助教 2011: 京都大学, 次世代研究者育成センター, 助教
Review Section/Research Field	Principal Investigator Broad Section E / Physical chemistry Except Principal Investigator Physical chemistry / Medium-sized Section 33:Organic chemistry and related fields
Keywords	Principal Investigator 自動探索 / 生化学反応 / 反応経路自動探索 / 酵素反応 / 遷移状態 / 反応経路 / 量子化学計算 Except Principal Investigator 計算化学 / 反応経路自動探索法 / ホウ素化 … More / 光学活性配位子 / 不斉合成 / 無輻射失活 / 第一原理分子動力学 / ダイナミクス / 光異性化 / シススチルベン / 振動励起 / AIMD / 励起ポテンシャル曲面 / 反応経路 / 二光子吸収 / イオン化ポテンシャル / スピン軌道相互作用 / ab initio分子動力学 / 円錐交差 / SF-TDDFT / 励起状態ダイナミクス / スチルベン / スピン反転時間依存密度汎関数法 / 励起ダイナミクス / 光励起緩和 / 光異性化反応 / 反応動力学 / 計算科学 / 触媒反応 / ポテンシャル面 / 理論化学 / 生体反応機構 / 炭素ナノ構造 / 反応経路探索 / 化学反応 Less

量子化学的化学反応創成法の触媒、高分子、二次元材料への展開Principal Investigator
- Principal Investigator
  
  前田理
- Project Period (FY)
  2025 – 2029
- Research Category
  
  Grant-in-Aid for Scientific Research (S)
- Review Section
  
  Broad Section E
- Research Institution
  Hokkaido University
Asymmetric Borylation with Chiral Dense Reaction Space
- Principal Investigator
  
  Ito Hajime
- Project Period (FY)
  2018 – 2021
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Review Section
  
  Medium-sized Section 33:Organic chemistry and related fields
- Research Institution
  Hokkaido University
Theoretical study on excited-state dynamics with plural factors
- Principal Investigator
  
  Taketsugu Tetsuya
- Project Period (FY)
  2014 – 2016
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Hokkaido University
Computational chemistry studies of chemical reactions of complex molecular systems
- Principal Investigator
  
  MOROKUMA Keiji
- Project Period (FY)
  2012 – 2014
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Research Field
  
  Physical chemistry
- Research Institution
  Kyoto University
Development of Automated Reaction Path Search Methods for Systematic Elucidation of Enzymatic Reaction MechanismsPrincipal Investigator
- Principal Investigator
  
  MAEDA Satoshi
- Project Period (FY)
  2011 – 2014
- Research Category
  
  Grant-in-Aid for Young Scientists (A)
- Research Field
  
  Physical chemistry
- Research Institution
  Hokkaido University
  Kyoto University

All 2021 2017 2016 2015 2014 2013 2012 2011 Other

All Journal Article Presentation Book

[Book] 新版すぐできる量子化学計算ビギナーズマニュアル2015
- Author(s)
  平尾公彦監修、武次徹也編著、橋本智裕、中尾嘉秀、八木清、前田理、小林正人、小野ゆり子
- Total Pages
  212
- Publisher
  講談社サイエンティフィク
- Data Source
  KAKENHI-PROJECT-26288001
[Journal Article] Mechanochemical synthesis of magnesium-based carbon nucleophiles in air and their use in organic synthesis2021
- Author(s)
  Takahashi Rina、Hu Anqi、Gao Pan、Gao Yunpeng、Pang Yadong、Seo Tamae、Jiang Julong、Maeda Satoshi、Takaya Hikaru、Kubota Koji、Ito Hajime
- Journal Title
  
  Nature Communications
  
  Volume: 12 Issue: 1 Pages: 6691-6691
- DOI
  10.1038/s41467-021-26962-w
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PUBLICLY-20H04795, KAKENHI-PROJECT-18H03907, KAKENHI-PROJECT-21H01926, KAKENHI-PROJECT-19J20824, KAKENHI-PROJECT-20J20675, KAKENHI-PROJECT-21K05053
[Journal Article] Introduction of a Luminophore into Generic Polymers via Mechanoradical Coupling with a Prefluorescent Reagent2021
- Author(s)
  Kubota Koji、Toyoshima Naoki、Miura Daiyo、Jiang Julong、Maeda Satoshi、Jin Mingoo、Ito Hajime
- Journal Title
  
  Angewandte Chemie International Edition
  
  Volume: 60 Issue: 29 Pages: 16003-16008
- DOI
  10.1002/anie.202105381
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-17H06370, KAKENHI-PUBLICLY-20H04795, KAKENHI-PROJECT-18H03907, KAKENHI-PROJECT-21H01926, KAKENHI-PROJECT-21K14637
[Journal Article] Full Rate Constant Matrix Contraction Method for Obtaining Branching Ratio of Unimolecular Decomposition2017
- Author(s)
  Yosuke Sumiya, Tetsuya Taketsugu, Satoshi Maeda
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 38 Issue: 2 Pages: 101-109
- DOI
  10.1002/jcc.24526
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-15J02125, KAKENHI-PROJECT-26288001, KAKENHI-PROJECT-16KT0047
[Journal Article] Exploring the Mechanism of Ultrafast Intersystem Crossing in Re(I) Carbonyl Bipyridine Halide Complexes: Key Vibrational Modes and Spin-Vibronic Quantum Dynamics2016
- Author(s)
  Yu Harabuchi, Julien Eng, Etienne Gindensperger, Tetsuya Taketsugu, Satoshi Maeda, and Chantal Daniel
- Journal Title
  
  J. Chem. Theo. Comp.
  
  Volume: 12 Issue: 5 Pages: 2335-2345
- DOI
  10.1021/acs.jctc.6b00080
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26288001
[Journal Article] Ab initio molecular dynamics study on photoreaction of 1,1'-dimethylstilbene upon S0 → S1 excitation2016
- Author(s)
  Yu HARABUCHI, Rina YAMAMOTO, Satoshi MAEDA, Satoshi TAKEUCHI, Tahei TAHARA, and Tetsuya TAKETSUGU
- Journal Title
  
  J. Phys. Chem. A
  
  Volume: 120 Issue: 44 Pages: 8804-8812
- DOI
  10.1021/acs.jpca.6b07548
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25104005, KAKENHI-PROJECT-16H04102, KAKENHI-PROJECT-26288001, KAKENHI-PROJECT-16KT0047
[Journal Article] Intrinsic Reaction Coordinate: Calculation, Bifurcation, and Automated Search2015
- Author(s)
  S. Maeda, Y. Harabuchi, Y. Ono, T. Taketsugu, and K. Morokuma
- Journal Title
  
  Int. J. Quantum Chem. (Special Issue: Theoretical Chemistry in Japan; Front Cover)
  
  Volume: 115 Issue: 5 Pages: 258-269
- DOI
  10.1002/qua.24757
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-12J40130, KAKENHI-PROJECT-23685004, KAKENHI-PROJECT-26288001
[Journal Article] Exploration of Minimum Energy Conical Intersection Structures of Small Polycyclic Aromatic Hydrocarbons: Impact on the Size Dependence of Fluorescence Quantum Yields2015
- Author(s)
  Y. Harabuchi, T. Taketsugu, and S. Maeda
- Journal Title
  
  Phys. Chem. Chem. Phys.
  
  Volume: 17 Issue: 35 Pages: 22561-22565
- DOI
  10.1039/c5cp02103k
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26288001
[Journal Article] Analyses of bifurcation of reaction pathways on a global reaction route map: a case study of gold cluster Au52015
- Author(s)
  Y. Harabuchi, Y. Ono, S. Maeda, and T. Taketsugu
- Journal Title
  
  J. Chem. Phys.
  
  Volume: 143 Issue: 1
- DOI
  10.1063/1.4923163
- NAID
  120005649131
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26288001
[Journal Article] Positive Effect of Water in Asymmetric Direct Aldol Reactions with Primary-Amine Organocatalyst: Experimental and Computational Studies2015
- Author(s)
  S A. Moteki, K. Nakayama, H.-B. Li, G. Petrova, S. Maeda, K. Morokuma, and K. Maruoka
- Journal Title
  
  Chem. Asian J.
  
  Volume: 10 Issue: 10 Pages: 1-6
- DOI
  10.1002/asia.201500078
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24245005, KAKENHI-PUBLICLY-25109525, KAKENHI-PUBLICLY-26105733, KAKENHI-PROJECT-26220803
[Journal Article] Mechanisms for the Breakdown of Halomethanes through Reactions with Ground-State Cyano Radicals2015
- Author(s)
  Pooria Farahani, Satoshi Maeda, Joseph S. Francisco, and Marcus Lundberg
- Journal Title
  
  ChemPhysChem
  
  Volume: 16 Issue: 1 Pages: 181-190
- DOI
  10.1002/cphc.201402601
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23685004
[Journal Article] From Roaming Atoms to Hopping Surfaces: Mapping Out Global Reaction Routes in Photochemistry2015
- Author(s)
  Satoshi Maeda, Tetsuya Taketsugu, Koichi Ohno, and Keiji Morokuma
- Journal Title
  
  Journal of the American Chemical Society
  
  Volume: 137 Issue: 10 Pages: 3433-3445
- DOI
  10.1021/ja512394y
- NAID
  120005606029
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-23685004, KAKENHI-PROJECT-26288001
[Journal Article] Reaction mechanism of the anomalous formal nucleophilic borylation of organic halides with silylborane: combined theoretical and experimental studies2015
- Author(s)
  Ryohei Uematsu, Eiji Yamamoto, Satoshi Maeda, Hajime Ito, Tetsuya Taketsugu
- Journal Title
  
  Journal of the American Chemical Society
  
  Volume: 137 Issue: 12 Pages: 4090-4099
- DOI
  10.1021/ja507675f
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-14J02447, KAKENHI-PROJECT-23685004, KAKENHI-PROJECT-26288001
[Journal Article] Exploration of Isomers of Benzene by the GRRM/SCC-DFTB Method2014
- Author(s)
  Hiroaki Tokoyama, Hideo Yamakado, Satoshi Maeda, Koichi Ohno
- Journal Title
  
  Chemistry Letters
  
  Volume: 43 Issue: 5 Pages: 702-704
- DOI
  10.1246/cl.140024
- NAID
  130004868137
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23685004
[Journal Article] Catalytic Transfer Hydrogenation by Trivalent Phosphorus Compound : Phosphorus-Ligand Cooperation Pathway or PIII/PV Redox Pathway?2014
- Author(s)
  G. Zeng, S. Maeda, T. Taketsugu, and S. Sakaki
- Journal Title
  
  Angew. Chem. Int. Ed.
  
  Volume: 128 Issue: 18 Pages: 4721-4725
- DOI
  10.1002/anie.201311104
- NAID
  120005646481
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22000009, KAKENHI-PROJECT-23685004
[Journal Article] Theoretical Mechanistic Studies on Methyltrioxorhenium-Catalyzed Olefin Cyclopropanation: Stepwise Transfer of a Terminal Methylene Group2014
- Author(s)
  Gen Luo, Yi Luo, Satoshi Maeda, Jingping Qu, Zhaomin Hou, and Koichi Ohno
- Journal Title
  
  Organometallics
  
  Volume: 33 Issue: 14 Pages: 3840-3846
- DOI
  10.1021/om500560f
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23685004, KAKENHI-PROJECT-26220802
[Journal Article] Automated Search for Chemical Reaction Pathways by the Artificial Force Induced Reaction Method: Toward Practical Applications in Synthetic Organic Chemistry2014
- Author(s)
  前田理、畑中美穂、植松遼平、武次徹也、諸熊奎治
- Journal Title
  
  Journal of Synthetic Organic Chemistry, Japan
  
  Volume: 72 Issue: 5 Pages: 567-579
- DOI
  10.5059/yukigoseikyokaishi.72.567
- NAID
  130004548607
- ISSN
  0037-9980, 1883-6526
- Language
  Japanese
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23685004, KAKENHI-PUBLICLY-26104519, KAKENHI-PROJECT-26810005
[Journal Article] Exploring transition state structures for intramolecular pathways by the artificial force induced reaction method2014
- Author(s)
  Satoshi Maeda, Tetsuya Taketsugu, and Keiji Morokuma
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 35 Issue: 2 Pages: 166-173
- DOI
  10.1002/jcc.23481
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23685004, KAKENHI-PROJECT-24245005, KAKENHI-PROJECT-26288001
[Journal Article] Multiple Reaction Pathways Operating in the Mechanism of Vinylogous Mannich-Type Reaction Activated by a Water Molecule2014
- Author(s)
  Ryohei Uematsu, Satoshi Maeda, and Tetsuya Taketsugu
- Journal Title
  
  Chemistry - An Asian Journal
  
  Volume: 9 Issue: 1 Pages: 305-312
- DOI
  10.1002/asia.201301065
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23685004
[Journal Article] Application of Automated Reaction Path Search Methods to a Systematic Search of Single-Bond Activation Pathways Catalyzed by Small Metal Clusters: A Case Study on H-H Activation by Gold2014
- Author(s)
  Min Gao, Andrey Lyalin, Satoshi Maeda, and Tetsuya Taketsugu
- Journal Title
  
  Journal of Chemical Theory and Computation
  
  Volume: 10 Issue: 4 Pages: 1623-1630
- DOI
  10.1021/ct500068b
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23685004, KAKENHI-PROJECT-26288001
[Journal Article] Anharmonic Downward Distortion Following for Automated Exploration of Quantum Chemical Potential Energy Surfaces2014
- Author(s)
  Satoshi Maeda, Tetsuya Taketsugu, Keiji Morokuma, Koichi Ohno
- Journal Title
  
  Bulletin of the Chemical Society of Japan
  
  Volume: 87 Issue: 12 Pages: 1315-1334
- DOI
  10.1246/bcsj.20140189
- NAID
  130004684802
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-23685004, KAKENHI-PROJECT-26288001
[Journal Article] Systematic Exploration of Minimum Energy Conical Intersection Structures near the Franck-Condon Region2014
- Author(s)
  Satoshi Maeda, Yu Harabuchi, Tetsuya Taketsugu, and Keiji Morokuma
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 118 Issue: 51 Pages: 12050-12058
- DOI
  10.1021/jp507698m
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23685004, KAKENHI-PROJECT-26288001
[Journal Article] Ab initio reaction pathways for photodissociation and isomerization of nitromethane on four singlet potential energy surfaces with three roaming paths2014
- Author(s)
  Miho Isegawa, Fengyi Liu, Satoshi Maeda, and Keiji Morokuma
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 140 Issue: 24
- DOI
  10.1063/1.4883916
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-23685004, KAKENHI-PROJECT-24245005
[Journal Article] Predicting pathways for terpene formation from first principles - routes to known and new sesquiterpenes2014
- Author(s)
  Miho Isegawa, Satoshi Maeda, Dean J. Tantillo, and Keiji Morokuma
- Journal Title
  
  Chemical Science
  
  Volume: 5 Issue: 4 Pages: 1555-1560
- DOI
  10.1039/c3sc53293c
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23685004, KAKENHI-PROJECT-24245005, KAKENHI-PUBLICLY-25109525
[Journal Article] A direct channel of the water gas shift reaction in gas phase2014
- Author(s)
  Y. Harabuchi, S. Maeda, T. Taketsugu, K. Ohno
- Journal Title
  
  Chem. Lett.
  
  Volume: 43 Issue: 2 Pages: 193-195
- DOI
  10.1246/cl.130940
- NAID
  130004867980
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-12J01535, KAKENHI-PROJECT-23685004, KAKENHI-PROJECT-26288001
[Journal Article] Complete active space second order perturbation theory (CASPT2) study of N(2D) + H2O reaction paths on D1 and D0 potential energy surfaces: Direct and roaming pathways2014
- Author(s)
  Miho Isegawa, Fengyi Liu, Satoshi Maeda, and Keiji Morokuma
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 141 Issue: 15
- DOI
  10.1063/1.4897633
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-23685004, KAKENHI-PROJECT-24245005
[Journal Article] CASPT2 Study of Photodissociation Pathways of Ketene2013
- Author(s)
  Hongyan Xiao, Satoshi Maeda, and Keiji Morokuma
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 117 Issue: 32 Pages: 7001-7008
- DOI
  10.1021/jp312719a
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23685004, KAKENHI-PROJECT-24245005
[Journal Article] Sampling of Transition States for Predicting Diastereoselectivity Using Automated Search Method - Aqueous Lanthanide-Catalyzed Mukaiyama Aldol Reaction2013
- Author(s)
  Miho Hatanaka, Satoshi Maeda, and Keiji Morokuma
- Journal Title
  
  Journal of Chemical Theory and Computation
  
  Volume: 9 Issue: 7 Pages: 2882-2886
- DOI
  10.1021/ct4002637
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23685004, KAKENHI-PROJECT-24245005
[Journal Article] 化学反応経路を自動探索する2013
- Author(s)
  前田理
- Journal Title
  
  ファルマシア
  
  Volume: 49 Pages: 106-110
- NAID
  110009995678
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23685004
[Journal Article] Automated search for minimum energy conical intersection geometries between the lowest two singlet states S0/S1-MECIs by the spin-flip TDDFT method2013
- Author(s)
  Y. Harabuchi, S. Maeda, T. Taketsugu, N. Minezawa, K. Morokuma
- Journal Title
  
  J. Chem. Theo. Comp.
  
  Volume: 9 Issue: 9 Pages: 4116-41423
- DOI
  10.1021/ct400512u
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-12J01535, KAKENHI-PROJECT-23685004, KAKENHI-PROJECT-24245005
[Journal Article] Weak and strong turbulence spectra for elastic thin plate2013
- Author(s)
  N.Yokoyama, M.Takaoka
- Journal Title
  
  Physical Review Letter
  
  Volume: vol. 110 Issue: 10
- DOI
  10.1103/physrevlett.110.105001
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22540402, KAKENHI-PROJECT-23685004
[Journal Article] 量子化学計算による反応設計を目指して―反応経路自動探索「GRRM」2013
- Author(s)
  前田理
- Journal Title
  
  化学
  
  Volume: 68 (3) Pages: 12-16
- Data Source
  KAKENHI-PROJECT-23685004
[Journal Article] Quasiclassical Trajectory Studies of the Photodissociation Dynamics of NO3 from the D0 and D1 Potential Energy Surfaces2013
- Author(s)
  B. Fu, J. M. Bowman, H.-Y. Xiao, S. Maeda, K. Morokuma
- Journal Title
  
  Journal of Chemical Theory and Computation
  
  Volume: 9 Issue: 2 Pages: 893-900
- DOI
  10.1021/ct3009792
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23685004
[Journal Article] Exploring Pathways of Photoaddition Reactions by Artificial Force Induced Reaction Method: A Case Study on the Paterno-Buchi Reaction2013
- Author(s)
  Satoshi Maeda, Tetsuya Taketsugu, and Keiji Morokuma
- Journal Title
  
  Zeitschrift fur Physikalische Chemie
  
  Volume: 227 Pages: 1421-1433
- DOI
  10.1524/zpch.2013.0401
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23685004, KAKENHI-PROJECT-24245005
[Journal Article] Systematic Exploration of the Mechanism of Chemical Reactions: Global Reaction Route Mapping (GRRM) Strategy by the ADDF and AFIR Methods.2013
- Author(s)
  Satoshi Maeda, Koichi Ohno, and Keiji Morokuma
- Journal Title
  
  Phys. Chem. Chem. Phys.
  
  Volume: 15 Issue: 11 Pages: 3683-3701
- DOI
  10.1039/c3cp44063j
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23655021, KAKENHI-PROJECT-23685004, KAKENHI-PROJECT-24245005
[Journal Article] Theoretical Study on the Photodissociation of Methylamine Involving S1, T1, and S0 States2013
- Author(s)
  Hongyan Xiao, Satoshi Maeda, and Keiji Morokuma
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 117 Issue: 28 Pages: 5757-5764
- DOI
  10.1021/jp4042952
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23685004
[Journal Article] Development of Azo-based Fluorescence Probes to Detect Different Levels of Hypoxia2013
- Author(s)
  Wen Piao, Satoru Tsuda, Yuji Tanaka, Satoshi Maeda, Fengyi Liu, Shodai Takahashi, Yu Kushida, Toru Komatsu, Tasuku Ueno Takuya Terai, Toru Nakazawa, Masanobu Uchiyama, Keiji Morokuma, Tetsuo Nagano, KenjiroHanaoka
- Journal Title
  
  Angewandte Chemie International Edition
  
  Volume: 52 Issue: 49 Pages: 13028-13032
- DOI
  10.1002/anie.201305784
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-13J10749, KAKENHI-PROJECT-22000006, KAKENHI-PROJECT-23685004, KAKENHI-PROJECT-24655147, KAKENHI-PROJECT-24659042, KAKENHI-PROJECT-24659756, KAKENHI-PROJECT-24689003, KAKENHI-PROJECT-24700472
[Journal Article] Global ab Initio Potential Energy Surfaces for Low-Lying Doublet States of NO32012
- Author(s)
  H.-Y. Xiao, S. Maeda, K. Morokuma
- Journal Title
  
  Journal of Chemical Theory and Computation
  
  Volume: 8 Issue: 8 Pages: 2600-2605
- DOI
  10.1021/ct3004035
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23685004
[Journal Article] Automated Exploration of Photolytic Channels of HCOOH: Conformational Memory via Excited-State Roaming2012
- Author(s)
  S. Maeda, T. Taketsugu, K. Morokuma
- Journal Title
  
  Journal of Physical Chemistry Letters
  
  Volume: 3 Issue: 14 Pages: 1900-1907
- DOI
  10.1021/jz300728q
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23685004
[Journal Article] Exploring Potential Energy Surfaces of Large Systems with Artificial Force Induced Reaction Method in Combination with ONIOM and Microiteration2012
- Author(s)
  S. Maeda, E. Abe, M. Hatanaka, T. Taketsugu, K. Morokuma
- Journal Title
  
  Journal of Chemical Theory and Computation
  
  Volume: 8 Issue: 12 Pages: 5058-5063
- DOI
  10.1021/ct300633e
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23685004
[Journal Article] ローミング経路2012
- Author(s)
  前田理
- Journal Title
  
  原子衝突学会誌（しょうとつ）
  
  Volume: 9 Pages: 17-17
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23685004
[Journal Article] Toward Predicting Full Catalytic Cycle Using Automatic Reaction Path Search Method : A Case Study on HCO(CO)_3-Catalyzed Hydroformylation2012
- Author(s)
  Satoshi Maeda, Keiji Morokuma
- Journal Title
  
  Journal of Chemical Theory and Computation
  
  Volume: 8 Issue: 2 Pages: 380-385
- DOI
  10.1021/ct200829p
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] レア・イベントの自動探索に向けた反応経路自動探索法の開発と有機化学へ2014
- Author(s)
  前田理
- Organizer
  日本物理学会第69回年次大会
- Place of Presentation
  東海大学湘南キャンパス（平塚市）
- Invited
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] Aun-mAgmクラスター(n = 7-9)を触媒としたH-H結合活性化：GRRM法を用いた理論予測2014
- Author(s)
  高木牧人、前田理、武次徹也
- Organizer
  北海道支部夏季研究発表会
- Place of Presentation
  苫小牧
- Year and Date
  2014-07-12
- Data Source
  KAKENHI-PROJECT-26288001
[Presentation] グローバル反応経路地図に対する反応速度解析：1,3-ブタジエンの単分子解離反応への応用2014
- Author(s)
  住谷陽輔、前田理、武次徹也
- Organizer
  反応経路探索ニューフロンティア2014
- Place of Presentation
  東広島
- Year and Date
  2014-09-20
- Data Source
  KAKENHI-PROJECT-26288001
[Presentation] 反応経路自動探索法の開発と応用2014
- Author(s)
  前田理
- Organizer
  先端化学・材料技術部会コンピュータケミストリ分科会次世代CCWG 「次世代計算化学技術セミナー」
- Place of Presentation
  公益社団法人新化学技術推進協会（東京都千代田区）
- Year and Date
  2014-11-14
- Invited
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] GRRM最新版で拓く化学反応研究の最前線2014
- Author(s)
  前田理
- Organizer
  「GRRMで拓く化学のニューフロンティア」～未知の化学を切り拓く～
- Place of Presentation
  学士会館（東京都千代田区）
- Year and Date
  2014-11-30
- Invited
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] 金クラスターの反応経路グローバル地図と経路分岐を考慮したネットワーク2014
- Author(s)
  武次徹也、原渕祐、小野ゆり子、前田理
- Organizer
  反応経路探索ニューフロンティア2014
- Place of Presentation
  東広島
- Year and Date
  2014-09-20
- Data Source
  KAKENHI-PROJECT-26288001
[Presentation] エネルギー・環境問題に資する大規模理論計算先導型革新的触媒開発2014
- Author(s)
  武次徹也、前田理、小林正人、長谷川淳也、中山哲、中谷直輝、中井浩巳
- Organizer
  ポスト京に向けたTCCI インフォーマル研究会‐社会的な貢献を考えた計算分子科学の研究課題；５年後を見据えて‐
- Place of Presentation
  名古屋
- Year and Date
  2014-05-21
- Data Source
  KAKENHI-PROJECT-26288001
[Presentation] 単成分人工力誘起反応法：反応経路網構築、ポテンシャル交差内最小エネルギー構造探索、および、クラスター構造探索への応用2014
- Author(s)
  前田理、原渕祐、高木牧人、小野ゆり子、武次徹也、諸熊奎治
- Organizer
  反応経路探索ニューフロンティア2014
- Place of Presentation
  東広島
- Year and Date
  2014-09-20
- Data Source
  KAKENHI-PROJECT-26288001
[Presentation] GRRM/AFIR法による光環化付加反応機構の検討2013
- Author(s)
  前田理, 原渕祐, 武次徹也, 諸熊奎治
- Organizer
  日本化学会第93春季年会(2013)
- Place of Presentation
  立命館大学びわこ・くさつキャンパス（草津市）
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] 化学反応経路の自動探索：コンピュータによる未知反応予測と超並列化の可能性2013
- Author(s)
  前田理
- Organizer
  第9回創成シンポジウム
- Place of Presentation
  北海道大学創成研究機構（札幌市）
- Invited
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] 反応経路自動探索法の開発と未知反応機構の解明2013
- Author(s)
  前田理
- Organizer
  日本化学会第93春季年会(2013)
- Place of Presentation
  立命館大学びわこ・くさつキャンパス（草津市）
- Invited
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] Development of Automated Reaction Path Search Methods: Systematic Studies on the Mechanism of Chemical Reactions2013
- Author(s)
  Satoshi Maeda
- Organizer
  15th Japan-Korea Symposium on Molecular Science
- Place of Presentation
  Hotel Kitano Plaza Rokko-so, Kobe, Japan
- Invited
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] Global Reaction Route Mapping Strategy for Systematic Prediction of Reaction Mechanisms in Homogeneous Catalysis2013
- Author(s)
  Satoshi Maeda
- Organizer
  Challenges in Computational Homogeneous Catalysis - 2013
- Place of Presentation
  Langholmen Conference Center, Stockholm, Sweden
- Invited
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] AFIR法を用いた遷移状態サンプリングによる立体選択性解析2013
- Author(s)
  前田理
- Organizer
  シンポジウム「化学反応経路探索のニューフロンティア２０１３」
- Place of Presentation
  京都大学福井謙一記念研究センター（京都市）
- Invited
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] 化学反応経路自動探索法の開発，応用，および，巨大系への応用2013
- Author(s)
  前田理
- Organizer
  第18回高分子計算機科学研究会講座
- Place of Presentation
  東京工業大学蔵前会館ロイヤルブルーホール（目黒区）
- Invited
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] Systematic Exploration of Transition State Structures for Organic Reactions by the Artificial Force Induced Reaction (AFIR) Method2013
- Author(s)
  Satoshi Maeda
- Organizer
  5th JCS International Symposium on Theoretical Chemistry
- Place of Presentation
  Todai-ji Culture Center, Nara, Japan
- Invited
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] The GRRM Strategy for Finding Chemical Reaction Pathways: Applications to Organic Reaction, Catalysis, and Enzyme Catalysis2013
- Author(s)
  Satoshi Maeda
- Organizer
  The Sixth Asia-Pacific Conference of Theoretical and Computational Chemistry (APCTCC 6)
- Place of Presentation
  Gyeongju Hilton Hotel, Gyeongju, Korea
- Invited
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] Applications of Automated Reaction Path Search Methods to Catalysis and Enzyme Catalysis2012
- Author(s)
  Satoshi Maeda
- Organizer
  Second International Symposium on Computational Sciences (ISCS2012)
- Place of Presentation
  Tian Lin Hotel (Shanghai, China)
- Invited
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] 反応経路自動探索法の拡張：不斉触媒反応、酵素反応、および、表面反応への応用へ向けて2012
- Author(s)
  前田理
- Organizer
  シンポジウム「化学反応経路探索のニューフロンティア2012」
- Place of Presentation
  東京大学化学本館（文京区）
- Invited
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] 反応経路自動探索法による触媒サイクルと選択性の量子化学的予測2012
- Author(s)
  前田理、諸熊奎治
- Organizer
  日本化学会第92春季年会
- Place of Presentation
  慶応義塾大学
- Year and Date
  2012-03-27
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] ONIOM法とMicroiteration法を用いた反応経路自動探索法の巨大系への応用: イソペニシリンN合成酵素への応用2012
- Author(s)
  前田理，阿部恵里花，畑中美穂，武次徹也，大野公一，諸熊奎治
- Organizer
  第6回分子科学討論会
- Place of Presentation
  東京大学本郷キャンパス（文京区）
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] 反応経路自動探索法による励起状態ローミング機構の解明2012
- Author(s)
  前田理, 武次徹也, Xiao Hongyan, 諸熊奎治
- Organizer
  第15回理論化学討論会
- Place of Presentation
  仙台市福祉プラザ（仙台市）
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] 人工力誘起反応法(AFIR)による化学反応経路探索2011
- Author(s)
  前田理
- Organizer
  シンポジウム「化学反応経路探索のニューフロンティア2011」
- Place of Presentation
  北海道大学
- Year and Date
  2011-09-24
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] 反応経路自動探索法の有機金属触媒サイクルへの応用2011
- Author(s)
  前田理、阿部恵里花、諸熊奎治
- 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
- Year and Date
  2011-09-21
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] nding Unexpected Reaction Pathways using Automated Reaction Route Finder2011
- Author(s)
  Satoshi Maeda
- Organizer
  The World Association of Theoretical and Computational Chemists (WATOC)2011
- Place of Presentation
  Santiago de Corapostela, Spain
- Year and Date
  2011-07-21
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] Exploring Multiple Potential Energy Surfaces2011
- Author(s)
  Satoshi Maeda, Koichi Ohno, Keiji Morokuma
- Organizer
  16th International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XVI)
- Place of Presentation
  Kanazawa, Japan
- Year and Date
  2011-09-14
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] A New Paradigm for Finding Reaction Pathways for Organic Multicomponent Reactions2011
- Author(s)
  Satoshi Maeda
- Organizer
  The First International Symposium on Computational Sciences (ISCS2011)
- Place of Presentation
  Shanghai, China
- Year and Date
  2011-04-19
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] 人工力誘起反応法によるA+B→X型反応経路の自動探索2011
- Author(s)
  前田理、諸熊奎治
- Organizer
  第14回理論化学討論会
- Place of Presentation
  岡山大学創立五十周年記念館
- Year and Date
  2011-05-13
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] Nonadiabatic Reactions Studied by Automated Reaction Path Search Methods2011
- Author(s)
  Satoshi Maeda, Hongyan Xiao, Ryo Saito, Keiji Morokuma
- Organizer
  7th Congress of the International Society for Theoretical Chemical Physics (ISTCP-VII)
- Place of Presentation
  Waseda University, Tokyo, Japan
- Year and Date
  2011-09-07
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] Finding Chemical Reaction Pathways : Toward Systematic Prediction of Reaction Mechanisms2011
- Author(s)
  Satoshi Maeda
- Organizer
  FISTC : Fukui International Symposium for Theoretical and Computational Chemistry
- Place of Presentation
  Kyoto University, Kyoto, Japan
- Year and Date
  2011-08-31
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] 無輻射失活経路の自動探索：蛍光量子収率の定性的な予測へ向けて
- Author(s)
  原渕祐、前田理、武次徹也
- 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-PROJECT-26288001
[Presentation] Development and Applications of Methods for Automated Search of Chemical Structures and Reaction Pathways
- Author(s)
  Satoshi Maeda
- Organizer
  Second China-Japan-Korea Tripartite Workshop on Theoretical and Computational Chemistry (CJK-WTCC-II)
- Place of Presentation
  理化学研究所計算科学研究機構（兵庫県神戸市）
- Year and Date
  2015-01-20 – 2015-01-23
- Invited
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] 2.Automated Exploration of Chemical Structures and Reaction Pathways
- Author(s)
  Satoshi Maeda
- Organizer
  The 2nd International Symposium for Young Chemists on Stimuli-ResponsiveChemical Species for the Creation of Functional Molecules
- Place of Presentation
  大阪大学豊中キャンパス（大阪府豊中市）
- Year and Date
  2014-12-09 – 2014-12-10
- Invited
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] 反応経路自動探索法の開発と応用：分子の生成分解過程の解析と予測
- Author(s)
  前田理
- Organizer
  シミュレーションによる自然科学における階層と全体
- Place of Presentation
  桑山ビル（愛知県名古屋市）
- Year and Date
  2015-01-19 – 2015-01-20
- Invited
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] An incorporation of the concept of a bifurcation pathway to global reaction route mapping analyses: An application to Au5 cluster
- Author(s)
  T. Taketsugu, Y. Harabuchi, Y. Ono, S. Maeda
- Organizer
  第17回「微粒子と無機クラスターに関する国際シンポジウム（ISSPIC17）」
- Place of Presentation
  Fukuoka
- Year and Date
  2014-09-07 – 2014-09-12
- Data Source
  KAKENHI-PROJECT-26288001
[Presentation] 単成分人工力誘起反応法を用いた原子・分子クラスターの構造探索
- Author(s)
  高木牧人、前田理、武次徹也
- Organizer
  第8回分子科学討論会
- Place of Presentation
  東広島
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PROJECT-26288001
[Presentation] Ab initio excited-state molecular dynamics approach based on the surface-hopping probability from wavepacket simulation
- Author(s)
  Yusuke Kondo, Takao Kobayashi, Takeshi Noro, Yu Harabuchi, Satoshi Maeda, and Tetsuya Taketsugu
- Organizer
  第30回化学反応討論会
- Place of Presentation
  姫路
- Year and Date
  2014-06-04 – 2014-06-06
- Data Source
  KAKENHI-PROJECT-26288001
[Presentation] 単成分人工力誘起反応（SC-AFIR）法
- Author(s)
  前田理、原渕祐、武次徹也、諸熊奎治
- Organizer
  第17回理論化学討論会
- Place of Presentation
  名古屋大学東山キャンパス（愛知県名古屋市）
- Year and Date
  2014-05-22 – 2014-05-24
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] 単成分人工力誘起反応（SC-AFIR）法
- Author(s)
  前田理、武次徹也、諸熊奎治
- Organizer
  第17回理論化学討論会
- Place of Presentation
  名古屋
- Year and Date
  2014-05-22 – 2014-05-24
- Data Source
  KAKENHI-PROJECT-26288001
[Presentation] アルゴンマトリックス中のギ酸分子の光解離反応におけるコンフォメーションメモリー：励起状態QM/MM-MDシミュレーション
- Author(s)
  新見佳祐，中山哲，前田理，武次徹也
- Organizer
  第8回分子科学討論会
- Place of Presentation
  東広島
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PROJECT-26288001
[Presentation] 反応経路地図への分岐反応経路概念の導入
- Author(s)
  武次徹也、原渕祐、小野ゆり子、前田理
- Organizer
  第17回理論化学討論会
- Place of Presentation
  名古屋
- Year and Date
  2014-05-22 – 2014-05-24
- Data Source
  KAKENHI-PROJECT-26288001
[Presentation] Franck-Condon領域近傍の最小エネルギー円錐交差構造の系統的自動探索：光機能性分子の設計に向けて
- Author(s)
  原渕祐、前田理、武次徹也、諸熊奎治
- Organizer
  第8回分子科学討論会
- Place of Presentation
  東広島
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PROJECT-26288001
[Presentation] Kinetic Calculation of Catalytic Cycles by the Global Reaction Route Mapping Method and Transition State Theory
- Author(s)
  Yosuke Sumiya, Satoshi Maeda, and Tetsuya Taketsugu
- Organizer
  第30回化学反応討論会
- Place of Presentation
  姫路
- Year and Date
  2014-06-04 – 2014-06-06
- Data Source
  KAKENHI-PROJECT-26288001
[Presentation] 3.Automated Search for Chemical Reaction Pathways with Quantum Chemical Calculations
- Author(s)
  Satoshi Maeda
- Organizer
  Recent Advances in Modeling Rare Events: Methods and Applications (RARE2014)
- Place of Presentation
  Kerala (India)
- Year and Date
  2014-05-29 – 2014-06-01
- Invited
- Data Source
  KAKENHI-PROJECT-23685004
[Presentation] n-アルカンとOHラジカルの反応におけるMultistructural効果
- Author(s)
  住谷陽輔、前田理、武次徹也
- Organizer
  第8回分子科学討論会
- Place of Presentation
  東広島
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PROJECT-26288001

1. MOROKUMA Keiji (40111083)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
2. IRLE Stephan (00432336)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
3. Taketsugu Tetsuya (90280932)

# of Collaborated Projects: 1 results

# of Collaborated Products: 19 results
4. NAKAYAMA Akira (10422007)

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results
5. Ito Hajime (90282300)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
6. 関朋宏 (50638187)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
7. 百合野大雅 (20771504)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
8. 久保田浩司

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
9. 榊茂好

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
10. 高岡正憲

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
11. 竹内佐年

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
12. 田原太平

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
13. 大野公一

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

MAEDA SATOSHI 前田 理

前田 理 マエダ サトシ

MAEDA Satoshi 前田 理

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量子化学的化学反応創成法の触媒、高分子、二次元材料への展開Principal Investigator

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Asymmetric Borylation with Chiral Dense Reaction Space

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Theoretical study on excited-state dynamics with plural factors

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Computational chemistry studies of chemical reactions of complex molecular systems

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Development of Automated Reaction Path Search Methods for Systematic Elucidation of Enzymatic Reaction MechanismsPrincipal Investigator

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[Book] 新版すぐできる量子化学計算ビギナーズマニュアル2015

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[Journal Article] Mechanochemical synthesis of magnesium-based carbon nucleophiles in air and their use in organic synthesis2021

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[Journal Article] Introduction of a Luminophore into Generic Polymers via Mechanoradical Coupling with a Prefluorescent Reagent2021

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[Journal Article] Full Rate Constant Matrix Contraction Method for Obtaining Branching Ratio of Unimolecular Decomposition2017

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[Journal Article] Exploring the Mechanism of Ultrafast Intersystem Crossing in Re(I) Carbonyl Bipyridine Halide Complexes: Key Vibrational Modes and Spin-Vibronic Quantum Dynamics2016

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[Journal Article] Ab initio molecular dynamics study on photoreaction of 1,1'-dimethylstilbene upon S0 → S1 excitation2016

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[Journal Article] Intrinsic Reaction Coordinate: Calculation, Bifurcation, and Automated Search2015

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[Journal Article] Exploration of Minimum Energy Conical Intersection Structures of Small Polycyclic Aromatic Hydrocarbons: Impact on the Size Dependence of Fluorescence Quantum Yields2015

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[Journal Article] Analyses of bifurcation of reaction pathways on a global reaction route map: a case study of gold cluster Au52015

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MAEDA SATOSHI 前田理

前田理マエダサトシ

MAEDA Satoshi 前田理