Electron localization function and electron localizability indicator applied to study the bonding in the peroxynitrous acid HOONO

Journal of Computational Chemistry

Volumn 32, Issue 8, 2011, Pages 1528-1540

  Berski, Slawomir ^a   Latajka, Zdzislaw ^a   Gordon, Agnieszka J ^a,b  

^a UNIVERSITY OF WROC AW   (Poland)

^b Chemical Biology Section   (United Kingdom)

Author keywords

electron localizability indicator; electron localization function; the chemical bond; topology

Indexed keywords

CAS-SCF; CCSD; CLOSED SHELLS; D-TOPOLOGY; DISSOCIATION CHANNELS; ELECTRON DENSITIES; ELECTRON LOCALIZABILITY INDICATOR; ELECTRON LOCALIZATION FUNCTION; ELECTRON-DEFICIENT; FUNCTIONALS; GEOMETRICAL STRUCTURE; LONE PAIR; OH GROUP; PEROXYNITROUS ACID; SPIN ELECTRONS; THE CHEMICAL BOND; TOPOLOGICAL ANALYSIS;

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; INDICATORS (CHEMICAL); ISOMERS; OXYGEN; TOPOLOGY;

ELECTRONS;

PEROXYNITROUS ACID;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRON; ISOMERISM; QUANTUM THEORY;

ELECTRONS; ISOMERISM; MODELS, MOLECULAR; PEROXYNITROUS ACID; QUANTUM THEORY;

EID: 79953216071     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21731     Document Type: Article

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