The theoretical calculations of vibrational spectra of guanidine selenate and guanidinium sulphate. Determination of direction of transition dipole moments by two methods: Oriented gas model and changes in displacement eigenvectors computed by DFT method

Journal of Molecular Structure: THEOCHEM

Volumn 756, Issue 1-3, 2005, Pages 173-184

  Drozd, M ^a  

^a INSTITUTE OF LOW TEMPERATURE AND STRUCTURE RESEARCH   (Poland)

Author keywords

DFT; Guanidinium; Oriented gas model; PED; RHF; Transition dipole moment

Indexed keywords

EID: 28544442665     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.07.002     Document Type: Article

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