Implementation and performance of the artificial force induced reaction method in the GRRM17 program-Reference-Cited by-同舟云学术

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

Published:2017-11-14 Issue:4 Volume:39 Page:233-251
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Maeda Satoshi¹^ORCID,Harabuchi Yu¹²,Takagi Makito³,Saita Kenichiro¹,Suzuki Kimichi¹⁴,Ichino Tomoya¹,Sumiya Yosuke³,Sugiyama Kanami³,Ono Yuriko¹

Affiliation:

1. Department of Chemistry; Faculty of Science, Hokkaido University; Sapporo 060-0810 Japan

2. Precursory Research for Embryonic Science and Technology (PRESTO), Japan Science and Technology Agency (JST); Saitama 332-0012 Japan

3. Graduate School of Chemical Sciences and Engineering; Hokkaido University; Sapporo 060-8628 Japan

4. Fukui Institute for Fundamental Chemistry, Kyoto University; Kyoto 606-8103 Japan

Funder

JST-CREST

JST-ACT-C

JST-PRESTO

JSPS

MEXT-FRAGSHIP2020

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference82 articles.

1. Exploring potential energy surfaces for chemical reactions: An overview of some practical methods

2. The path of chemical reactions - the IRC approach

3. Intrinsic reaction coordinate: Calculation, bifurcation, and automated search

4. Spin-forbidden reactions: computational insight into mechanisms and kinetics

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