AFIR explorations of transition states of extended unsaturated systems: automatic location of ambimodal transition states-Reference-Cited by-同舟云学术

AFIR explorations of transition states of extended unsaturated systems: automatic location of ambimodal transition states

Published:2020 Issue:25 Volume:22 Page:13942-13950
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ito Takuma¹²³⁴,Harabuchi Yu⁵⁶²⁷⁴,Maeda Satoshi⁵⁶²⁷⁴^ORCID

Affiliation:

1. Graduate School of Chemical Sciences and Engineering

2. Hokkaido University

3. Sapporo 060-8628

4. Japan

5. Department of Chemistry

6. Faculty of Science

7. Sapporo 060-0810

Abstract

Based on the artificial force induced reaction (AFIR) method, we proposed a procedure to systematically explore ambimodal transition states (TSs) that cause the dynamical bifurcation.

Funder

Exploratory Research for Advanced Technology

Core Research for Evolutional Science and Technology

Precursory Research for Embryonic Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP02379E

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