Electron number distribution functions with iterative Hirshfeld atoms

Computational and Theoretical Chemistry

Volumn 975, Issue 1-3, 2011, Pages 2-8

  Francisco, E ^a   Martin Pendas A ^a   Costales, Aurora ^a   García Revilla, Marco ^a  

^a UNIVERSITY OF OVIEDO   (Spain)

Author keywords

Atomic overlap matrix; Delocalization index; Electron number distribution function; Hirshfeld atoms; Quantum Theory of Atoms in Molecules

Indexed keywords

EID: 84555197158     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2011.04.003     Document Type: Article

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