A model of atoms in molecules based on potential acting on one electron in a molecule: I. Partition and atomic charges obtained from ab initio calculations-Reference-Cited by-同舟云学术

A model of atoms in molecules based on potential acting on one electron in a molecule: I. Partition and atomic charges obtained from ab initio calculations

Published:2018-02-19 Issue:15 Volume:118 Page:e25610
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J Quantum Chem

Author:

Zhao Dong-Xia¹,Zhao Jian¹,Zhu Zun-Wei¹,Zhang Chao¹,Yang Zhong-Zhi¹^ORCID

Affiliation:

1. Department of Chemistry, School of Chemistry and Chemical Engineering; Liaoning Normal University; Dalian 116029 People's Republic of China

Funder

National Natural Science Foundation of China

Natural Science Foundation of Liaoning Province

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/qua.25610/fullpdf

Reference133 articles.

1. Molecular fragments or chemical bonds

2. Atoms in molecules

3. A quantum theory of molecular structure and its applications

4. Bonded and nonbonded charge concentrations and their relation to molecular geometry and reactivity

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