Characterization of two types of intermolecular interactions on halogen monoxide monohydrates

Journal of Computational Chemistry

Volumn 30, Issue 15, 2009, Pages 2538-2549

  Gálvez, Oscar ^a   Gómez, Pedro C ^b   Pacios, Luis F ^c  

^a INSTITUTO DE ESTRUCTURA DE LA MATERIA   (Spain)

^b UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

^c UNIVERSIDAD POLITÉCNICA DE MADRID   (Spain)

Author keywords

Ab initio; Charge transfer; Electron density; Halogen bond; Halogen monoxide; Hydrogen bond; Polarization

Indexed keywords

AB INITIO; BASIS SETS; ELECTRON DENSITIES; ELECTRON DENSITY; ELECTRON DENSITY DISTRIBUTION; ELECTRON LOCALIZATIONS; HALOGEN BOND; HALOGEN BONDS; HALOGEN MONOXIDE; INTERMOLECULAR INTERACTIONS; OZONE DEPLETION; SPATIAL EXTENT; STABLE STRUCTURES;

ATMOSPHERICS; BINDING SITES; CARRIER CONCENTRATION; CHARGE TRANSFER; COMPLEXATION; ELECTRON DENSITY MEASUREMENT; GRAFTING (CHEMICAL); HALOGEN ELEMENTS; HYDROGEN; HYDROGEN BONDS; ION EXCHANGE; MASS TRANSFER; OZONE; OZONE LAYER; POLARIZATION; SULFUR COMPOUNDS; SYNTHESIS (CHEMICAL);

ELECTRONS;

HALOGEN; OXYGEN; WATER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; HYDROGEN BOND; QUANTUM THEORY;

COMPUTER SIMULATION; HALOGENS; HYDROGEN BONDING; MODELS, CHEMICAL; OXYGEN; QUANTUM THEORY; WATER;

EID: 70349931453     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21260     Document Type: Article

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