Visualization of reaction route map and dynamical trajectory in reduced dimension-Reference-Cited by-同舟云学术

Visualization of reaction route map and dynamical trajectory in reduced dimension

Published:2021 Issue:89 Volume:57 Page:11734-11750
ISSN:1359-7345
Container-title:Chemical Communications
language:en
Short-container-title:Chem. Commun.

Author:

Tsutsumi Takuro¹^ORCID,Ono Yuriko²,Taketsugu Tetsuya¹²^ORCID

Affiliation:

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

2. Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Sapporo 001-0021, Japan

Abstract

We review the on-the-fly trajectory mapping and Reaction Space Projector methods to analyze dynamical trajectories based on a reduced-dimensionality subspace.

Funder

Core Research for Evolutional Science and Technology

Hokkaido University

Ministry of Education, Culture, Sports, Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Metals and Alloys,Surfaces, Coatings and Films,General Chemistry,Ceramics and Composites,Electronic, Optical and Magnetic Materials,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CC/D1CC04667E

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