On the nature of blueshifting hydrogen bonds: Ab initio and density functional studies of several fluoroform complexes

Journal of Chemical Physics

Volumn 119, Issue 1, 2003, Pages 313-324

  Pejov, Ljupčo ^a   Hermansson, Kersti ^b  

^a SS CYRIL AND METHODIUS UNIVERSITY   (Macedonia)

^b UPPSALA UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; ELECTRON ENERGY LEVELS; ELECTRONIC PROPERTIES; ELECTROSTATICS; FLUORINE COMPOUNDS; INTERFACIAL ENERGY; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; POLARIZATION; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION;

BLUESHIFTING; DISPERSION ENERGY CONTRIBUTIONS; FLUOROFORM COMPLEXES; HYDROGEN BONDED ARRANGEMENTS; POTENTIAL ENERGY HYPERSURFACES; VIBRATIONAL FREQUENCY SHIFTS;

HYDROGEN BONDS;

EID: 0038446833     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1571517     Document Type: Article

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