Stress Tensor Eigenvector Following with Next-Generation Quantum Theory of Atoms in Molecules: Excited State Photochemical Reaction Path from Benzene to Benzvalene-Reference-Cited by-同舟云学术

Stress Tensor Eigenvector Following with Next-Generation Quantum Theory of Atoms in Molecules: Excited State Photochemical Reaction Path from Benzene to Benzvalene

Published:2019-09-05 Issue:38 Volume:123 Page:8254-8264
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Malcomson Thomas¹,Azizi Alireza²,Momen Roya²,Xu Tianlv²,Kirk Steven R.²^ORCID,Paterson Martin J.¹^ORCID,Jenkins Samantha²^ORCID

Affiliation:

1. Institute of Chemical Sciences, School of Engineering and Physical Sciences, Heriot-Watt University, Edinburgh, EH14 4AS, U.K.

2. Key Laboratory of Chemical Biology and Traditional Chinese Medicine Research and Key Laboratory of Resource National and Local Joint Engineering Laboratory for New Petro-chemical Materials and Fine Utilization of Resources, College of Chemistry and Chemical Engineering, Hunan Normal University, Changsha, Hunan 410081, China

Funder

Engineering and Physical Sciences Research Council

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.9b07519

Reference36 articles.

1. Benzvalene synthesis

2. The Dewar Benzene Radical Cation and Its Ring-Opening Reaction