Electron pairing and chemical bonds: Pair localization in ELF domains from the analysis of domain averaged fermi holes

Journal of Computational Chemistry

Volumn 28, Issue 1, 2007, Pages 109-116

  Ponec, Robert ^a   Chaves, Joaquin ^b  

^a INSTITUTE OF CHEMICAL PROCESS FUNDAMENTALS   (Czech Republic)

^b UNIVERSITY OF GIRONA   (Spain)

Author keywords

Chemical bonding; Domain averaged Fermi holes; ELF; Pair localization

Indexed keywords

ELECTRONS; FERMI LEVEL; MOLECULAR DYNAMICS; NITROGEN; WATER;

ELECTRON LOCALIZATION FUNCTION (ELF) DOMAINS; ELECTRON PAIRING; FERMI HOLES; H2O;

CHEMICAL BONDS;

EID: 33846634150     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20465     Document Type: Article

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