A theoretical gas phase study of the molecular structures and vibrational spectra of novel penta-1,4-diyne-3-thioketone and penta-1,4-diyne-3-selenoketone

Journal of Molecular Structure: THEOCHEM

Volumn 767, Issue 1-3, 2006, Pages 19-22

  Ramasami, Ponnadurai ^a  

^a UNIVERSITY OF MAURITIUS   (Mauritius)

Author keywords

Ab initio; Density functional theory; Infrared spectra; Penta 1,4 diyne 3 selenoketone; Penta 1,4 diyne 3 thioketone; Vibrational frequencies

Indexed keywords

EID: 33747873214     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.04.024     Document Type: Article

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