Pauli potential and Pauli charge from experimental electron density

Computational and Theoretical Chemistry

Volumn 1006, Issue , 2013, Pages 92-99

  Tsirelson, Vladimir G ^a   Stash, Adam I ^a,b   Karasiev, Valentin V ^c   Liu, Shubin ^d  

^a MENDELEEV UNIVERSITY OF CHEMICAL TECHNOLOGY OF RUSSIA   (Russian Federation)

^b KARPOV INSTITUTE OF PHYSICAL CHEMISTRY   (Russian Federation)

^c UNIVERSITY OF FLORIDA   (United States)

^d UNIVERSITY OF NORTH CAROLINA   (United States)

Author keywords

Chemical bond; Density functional theory; Electron density

Indexed keywords

EID: 84872685679     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2012.11.015     Document Type: Article

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