Distinguishing and quantifying the torquoselectivity in competitive ring-opening reactions using the stress tensor and QTAIM-Reference-Cited by-同舟云学术

Distinguishing and quantifying the torquoselectivity in competitive ring-opening reactions using the stress tensor and QTAIM

Published:2016-10-06 Issue:31 Volume:37 Page:2722-2733
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Guo Huan¹,Morales-Bayuelo Alejandro²,Xu Tianlv¹,Momen Roya¹,Wang Lingling¹,Yang Ping¹,Kirk Steven R.¹,Jenkins Samantha¹^ORCID

Affiliation:

1. Science Faculty, Chemistry Program, Key Laboratory of Chemical Biology and Traditional Chinese Medicine Research and Key Laboratory of Resource Fine-Processing and Advanced Materials of Hunan Province of MOE, College of Chemistry and Chemical Engineering; Hunan Normal University; Changsha Hunan 410081 China

2. Science Faculty, Chemistry Program; Grupo de Química Cuántica y Teórica de la Universidad de Cartagena, Facultad de Ciencias, Programa de Química, Cartagena de Indias; Colombia

Funder

National Natural Science Foundation of China

Fondo Nacional de Desarrollo Científico y Tecnológico

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.24499/fullpdf

Reference51 articles.

1. Biasing reaction pathways with mechanical force

2. Stereoselective substituent effects on conrotatory electrocyclic reactions of cyclobutenes