Ab initio and AIM studies on typical π-type and pseudo-π-type halogen bonds: Comparison with hydrogen bonds

International Journal of Quantum Chemistry

Volumn 111, Issue 14, 2011, Pages 3725-3740

  Zeng, Yanli ^a   Zhang, Xueying ^a   Li, Xiaoyan ^a   Zheng, Shijun ^a   Meng, Lingpeng ^a  

^a HEBEI NORMAL UNIVERSITY   (China)

Author keywords

type halogen bond; type hydrogen bond; AIM study; topological properties of electron density; weak interaction

Indexed keywords

AB INITIO; AIM STUDY; BOND CRITICAL POINTS; COMPLEX FORMATIONS; CONTOUR MAP; ELECTRON DENSITIES; FREQUENCY SHIFT; HALOGEN ATOMS; HALOGEN BONDS; HYDROGEN ATOMS; HYDROGEN-BONDED COMPLEXES; LAPLACIANS; NON-COVALENT INTERACTION; TOPOLOGICAL PROPERTIES; WEAK BOND; WEAK INTERACTIONS;

BINDING ENERGY; BOND STRENGTH (CHEMICAL); BOND STRENGTH (MATERIALS); BROMINE; CARRIER CONCENTRATION; CHARGE TRANSFER; CHLORINE; COMPLEXATION; DENSITY FUNCTIONAL THEORY; ELECTRON DENSITY MEASUREMENT; ELECTRONS; FLUORINE; HALOGEN COMPOUNDS; HYDROGEN; ION EXCHANGE; TOPOLOGY;

HYDROGEN BONDS;

EID: 80052085919     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22871     Document Type: Article

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