Automated reaction mechanisms and kinetics with the nudged elastic band method‐based AMK_Mountain and its description of the preliminary alkaline hydrolysis of nitrocellulose monomer-Reference-Cited by-同舟云学术

Automated reaction mechanisms and kinetics with the nudged elastic band method‐based AMK_Mountain and its description of the preliminary alkaline hydrolysis of nitrocellulose monomer

Published:2022-05-14 Issue:22 Volume:43 Page:1513-1523
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Zhang Guan¹^ORCID,Li Jin¹,Liang Xinxin¹,Liu Zongkuan¹

Affiliation:

1. School of Human Settlement and Civil Engineering Xi'an Jiaotong University Xi'an China

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26891

Reference52 articles.

1. An automated transition state search using classical trajectories initialized at multiple minima

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4. AutoMeKin2021 : An open‐source program for automated reaction discovery

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