Geometric analysis of anharmonic downward distortion following paths-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Geometric analysis of anharmonic downward distortion following paths

Published:2020-10-24 Issue:1 Volume:42 Page:27-39
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Ebisawa Shuichi¹,Tsutsumi Takuro¹,Taketsugu Tetsuya²³^ORCID

Affiliation:

1. Graduate School of Chemical Sciences and Engineering Hokkaido University Sapporo Japan

2. Department of Chemistry Faculty of Science, Hokkaido University Sapporo Japan

3. Institute for Chemical Reaction Design and Discovery (WPI‐ICReDD) Hokkaido University Sapporo Japan

Funder

Core Research for Evolutional Science and Technology

Japan Society for the Promotion of Science

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26430

Reference56 articles.

1. Formulation of the reaction coordinate

2. The path of chemical reactions - the IRC approach

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

4. Geometry optimization

5. Nudged elastic band method for finding minimum energy paths of transitions

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Characterizing Reaction Route Map of Realistic Molecular Reactions Based on Weight Rank Clique Filtration of Persistent Homology;Journal of Chemical Theory and Computation;2023-07-03

2. Reaction Space Projector (ReSPer) for Visualizing Dynamic Reaction Routes Based on Reduced-Dimension Space;Topics in Current Chemistry;2022-03-10

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370

www.globalauthorid.com

TOP