Ab initio studies of some hydrogen-bonded complexes of fluoroform - Evidence for blue-shifted behaviour

Journal of Molecular Structure

Volumn 1023, Issue , 2012, Pages 163-169

  Ramasami, Ponnadurai ^a   Ford, Thomas A ^b  

^a UNIVERSITY OF MAURITIUS   (Mauritius)

^b UNIVERSITY OF KWAZULU NATAL   (South Africa)

Author keywords

Ab initio; Hydrogen bonding; Interaction energies; Molecular complexes; Molecular structures; Vibrational spectra

Indexed keywords

AB INITIO; AB INITIO STUDY; ANHARMONIC; BLUE-SHIFTED; BOND CRITICAL POINTS; C-H BOND; CRITICAL POINTS; ELECTRON DONORS; ELECTRONIC CHARGES; FLUOROFORMS; HARMONIC LEVELS; HYDROGEN CHLORIDE; HYDROGEN FLUORIDE; HYDROGEN-BONDED COMPLEXES; INFRARED INTENSITY; INTERACTION ENERGIES; MOLECULAR COMPLEXES; PROTON ACCEPTORS; PROTON DONORS; TOPOLOGICAL CHARGES; WAVE NUMBERS; WAVENUMBER SHIFTS;

CHLORINE COMPOUNDS; HYDROGEN BONDS; HYDROGEN SULFIDE; MOLECULAR STRUCTURE; PHOSPHORUS COMPOUNDS; PROTONS; TABLE LOOKUP; VIBRATIONAL SPECTRA;

COMPLEXATION;

EID: 84864603253     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2012.04.001     Document Type: Article

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