Ab Initio Determination of the Infrared Phosphine Torsion Spectrum in Vinylphosphine with ZPE Correction

Journal of Computational Chemistry

Volumn 21, Issue 13, 2000, Pages 1167-1175

  Melendez F J ^a,b   Gallego Luxan, B ^a   Demaison, Jean ^c   Smeyers, Yves G ^a  

^a INSTITUTO DE ESTRUCTURA DE LA MATERIA   (Spain)

^b Lab de Quim Teor   (Mexico)

^c UNIVERSITÉ DES SCIENCES ET TECHNOLOGIES DE LILLE   (France)

Author keywords

Ab initio conformational calculations; Nonrigid molecules; Torsional far infrared spectrum; Vinylphosphine; ZPE correction

Indexed keywords

EID: 0347116344     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/1096-987X(200010)21:13<1167::AID-JCC5>3.0.CO;2-F     Document Type: Article

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