Relativistic (SR‐ZORA) quantum theory of atoms in molecules properties-Reference-Cited by-同舟云学术

Relativistic (SR‐ZORA) quantum theory of atoms in molecules properties

Published:2016-11-10 Issue:2 Volume:38 Page:81-86
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Anderson James S. M.¹²,Rodríguez Juan I.³,Ayers Paul W.⁴,Götz Andreas W.⁵^ORCID

Affiliation:

1. Computational Materials Science Research TeamAICS, RIKEN,7‐1‐26 Minatojima‐minami‐machi, Chuo‐kuKobe Hyogo650‐0047 Japan

2. iTHES Research GroupRIKEN, 2‐1, HirosawaWako‐shi Saitama351‐0198 Japan

3. Escuela Superior de Física y MatemáticasInstituto Politécnico NacionalEdificio 9, U.P. A.L.M, Col. San Pedro Zacatenco, C.P. 07738México D.F México

4. Department of Chemistry and Chemical BiologyMcMaster UniversityHamilton Ontario CanadaL8S4M1

5. San Diego Supercomputer Center, University of California San Diego9500 Gilman DriveLa Jolla California92093‐0505

Funder

National Science Foundation

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.24520

Reference45 articles.

1. The zero-flux surface and the topological and quantum definitions of an atom in a molecule

2. Why define atoms in real space?

3. Virial Field Relationship for Molecular Charge Distributions and the Spatial Partitioning of Molecular Properties

4. Fluctuation and correlation of electrons in molecular systems

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