Theoretical study of the structure and vibrational spectrum of 1,3-dithiole-2-thione

Spectrochimica Acta - Part A Molecular Spectroscopy

Volumn 52, Issue 3, 1996, Pages 279-286

  Liu, Ruifeng ^a   VanBuren, Alex S ^a   Moody, Paula R ^a   Krauser, Joel A ^a   Tate, Dennis R ^a   Clark, Jeffrey A ^a  

^a EAST TENNESSEE STATE UNIVERSITY   (United States)

Author keywords

1,3 dithiole 2 thione; Density functional theory; Vibrational spectra

Indexed keywords

CALCULATIONS; MOLECULAR VIBRATIONS; MOLECULES; NUMERICAL METHODS; ORGANIC COMPOUNDS; POLARIZATION; STRUCTURE (COMPOSITION);

AB INITIO HARTREE FOCK; DENSITY FUNCTIONAL THEORY; DITHIOLE THIONE; HARMONIC FORCE FIELD; VIBRATIONAL SPECTRA;

MOLECULAR SPECTROSCOPY;

EID: 0030101993     PISSN: 05848539     EISSN: None     Source Type: Journal    
DOI: 10.1016/0584-8539(95)01571-x     Document Type: Article

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