Density functional studies on hydrogen-bonded clusters of hydrogen halides and the interaction on halide anions

International Journal of Quantum Chemistry

Volumn 103, Issue 3, 2005, Pages 322-331

  Nirmala, V ^a   Kolandaivel, P ^a  

^a BHARATHIAR UNIVERSITY   (India)

Author keywords

Atoms in molecules; Density functional theory; Hydrogen bonding; Many body analysis; Natural bond orbital; Topological properties

Indexed keywords

ATOMS; ELECTROSTATICS; HALIDE MINERALS; MOLECULAR DYNAMICS; NEGATIVE IONS; PROBABILITY DENSITY FUNCTION; STRUCTURE (COMPOSITION);

ATOM IN MOLECULES; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDING; MANY-BODY ANALYSIS; NATURAL BOND ORBITAL; TOPOLOGICAL PROPERTIES;

HYDROGEN BONDS;

EID: 19944369144     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20490     Document Type: Article

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