Ab initio investigations of some molecular complexes containing hydrogen cyanide: Hydrogen-bonded or donor-acceptor?

Journal of Molecular Structure

Volumn 744-747, Issue SPEC. ISS., 2005, Pages 195-205

  Millar, L J ^a   Ford, T A ^a  

^a UNIVERSITY OF KWAZULU NATAL   (South Africa)

Author keywords

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

Indexed keywords

COMPLEXATION; CYANIDES; MOLECULAR VIBRATIONS; MONOMERS; PERTURBATION TECHNIQUES; POLARIZATION; PROTONS;

INTERACTION ENERGY; MOLECULAR COMPLEXES; MONOMER SPECIES; POLARIZATION FUNCTIONS;

MOLECULAR STRUCTURE;

EID: 19444368921     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2004.10.123     Document Type: Conference Paper

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