QTAIM and stress tensor interpretation of the (H2 O)5 potential energy surface-Reference-Cited by-同舟云学术

QTAIM and stress tensor interpretation of the (H2 O)5 potential energy surface

Published:2016-10-03 Issue:31 Volume:37 Page:2712-2721
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Xu Tianlv¹,Farrell James²,Xu Yuning¹,Momen Roya¹,Kirk Steven R.¹,Jenkins Samantha¹^ORCID,Wales David J.²

Affiliation:

1. College of Chemistry & Chemical Engineering, 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. Department of Chemistry, Lensfield Road; Cambridge University; UK

Funder

National Natural Science Foundation of China

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.24498/fullpdf

Reference54 articles.

1. Theoretical characterization of structural and energetical properties of water clusters, by means of a simple polarizable water Hamiltonian

2. Water: From Clusters to the Bulk