Ab initio molecular orbital calculations of the structures and vibrational spectra of some molecular complexes containing sulphur dioxide

Journal of Molecular Structure

Volumn 924-926, Issue C, 2009, Pages 466-472

  Ford, Thomas A ^a  

^a UNIVERSITY OF KWAZULU NATAL   (South Africa)

Author keywords

Interaction energies; Molecular complexes; Molecular structures; Sulphur dioxide; Vibrational spectra

Indexed keywords

AB INITIO MOLECULAR ORBITAL CALCULATIONS; BORON TRIFLUORIDE; HYDROGEN CHLORIDES; HYDROGEN FLUORIDES; HYDROGEN SULPHIDES; HYDROGEN-BONDED COMPLEXES; INFRARED INTENSITIES; INTERACTION ENERGIES; LEWIS ACIDS; MOLECULAR COMPLEXES; MONOMER STRUCTURES; NUMBER OF ELECTRONS; SULPHUR DIOXIDE; WAVENUMBER SHIFTS;

BORON; BORON COMPOUNDS; CHLORINE COMPOUNDS; HYDROGEN; HYDROGEN BONDS; HYDROGEN SULFIDE; MOLECULAR MODELING; MOLECULAR ORBITALS; MOLECULAR SPECTROSCOPY; MOLECULAR STRUCTURE; MOLECULES; PHOSPHORUS COMPOUNDS; STRUCTURAL PROPERTIES; SULFUR; SULFUR DETERMINATION; VIBRATIONAL SPECTRA;

SULFUR DIOXIDE;

EID: 65049089678     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2008.10.007     Document Type: Article

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