Artificial Force-Induced Reaction Method for Systematic Elucidation of Mechanism and Selectivity in Organometallic Reactions

2020 ◽  
pp. 57-80 ◽  
Author(s):  
Miho Hatanaka ◽  
Takayoshi Yoshimura ◽  
Satoshi Maeda
Keyword(s):  
Reaction Method ◽  
Organometallic Reactions ◽  
Induced Reaction

scholarly journals Exploring the full catalytic cycle of rhodium(i)–BINAP-catalysed isomerisation of allylic amines: a graph theory approach for path optimisation

2017 ◽  
Vol 8 (6) ◽  
pp. 4475-4488 ◽  
Author(s):  
Takayoshi Yoshimura ◽  
Satoshi Maeda ◽  
Tetsuya Taketsugu ◽  
Masaya Sawamura ◽  
Keiji Morokuma ◽  
...  
Keyword(s):  
Graph Theory ◽  
Reaction Mechanism ◽  
Catalytic Cycle ◽  
Theory Approach ◽  
Allylic Amines ◽  
Reaction Route ◽  
Reaction Method ◽  
Mapping Strategy ◽  
Global Reaction ◽  
Induced Reaction

The reaction mechanism of the cationic rhodium(i)–BINAP complex catalysed isomerisation of allylic amines was explored using the artificial force induced reaction method with the global reaction route mapping strategy.

scholarly journals Some Mathematical Reasoning on the Artificial Force Induced Reaction Method

2019 ◽  
Vol 41 (7) ◽  
pp. 629-634 ◽  
Author(s):  
Wolfgang Quapp ◽  
Josep Maria Bofill
Keyword(s):  
Mathematical Reasoning ◽  
Reaction Method ◽  
Induced Reaction

scholarly journals Global search for low-lying crystal structures using the artificial force induced reaction method: A case study on carbon

2017 ◽  
Vol 95 (18) ◽  
Author(s):  
Makito Takagi ◽  
Tetsuya Taketsugu ◽  
Hiori Kino ◽  
Yoshitaka Tateyama ◽  
Kiyoyuki Terakura ◽  
...  
Keyword(s):  
Crystal Structures ◽  
Global Search ◽  
Reaction Method ◽  
Induced Reaction

scholarly journals Implementation and performance of the artificial force induced reaction method in the GRRM17 program

2017 ◽  
Vol 39 (4) ◽  
pp. 233-251 ◽  
Author(s):  
Satoshi Maeda ◽  
Yu Harabuchi ◽  
Makito Takagi ◽  
Kenichiro Saita ◽  
Kimichi Suzuki ◽  
...  
Keyword(s):  
Reaction Method ◽  
And Performance ◽  
Induced Reaction

Induced Reaction Method for Determination of Fluoride Ion

1953 ◽  
Vol 25 (2) ◽  
pp. 271-274 ◽  
Author(s):  
J. L. Lambert
Keyword(s):  
Fluoride Ion ◽  
Reaction Method ◽  
Induced Reaction

Artificial Force Induced Reaction Method for Systematic Determination of Complex Reaction Mechanisms

2016 ◽  
Vol 16 (5) ◽  
pp. 2349-2363 ◽  
Author(s):  
W. M. C. Sameera ◽  
Akhilesh Kumar Sharma ◽  
Satoshi Maeda ◽  
Keiji Morokuma
Keyword(s):  
Reaction Mechanisms ◽  
Complex Reaction ◽  
Reaction Method ◽  
Systematic Determination ◽  
Induced Reaction

ChemInform Abstract: Computational Catalysis Using the Artificial Force Induced Reaction Method

ChemInform ◽  
2016 ◽  
Vol 47 (22) ◽  
Author(s):  
W. M. C. Sameera ◽  
Satoshi Maeda ◽  
Keiji Morokuma
Keyword(s):  
Reaction Method ◽  
Induced Reaction ◽  
Computational Catalysis
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