Computational note on theoretical investigation of the molecular structure and vibrational spectra of 2,4-cyclopentadiene-1-one, 2,4-cyclopentadiene-1-thione and 2,4-cyclopentadiene-1-selenone

Journal of Molecular Structure: THEOCHEM

Volumn 813, Issue 1-3, 2007, Pages 29-32

  Karthikeyan, S ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY MADRAS   (India)

Author keywords

2,4 Cyclopentadiene 1 one; 2,4 Cyclopentadiene 1 selenone; 2,4 Cyclopentadiene 1 thione; Ab initio; Density functional theory; Infrared spectra; Vibrational frequencies

Indexed keywords

EID: 34249323706     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.02.015     Document Type: Article

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