An ab initio (RHF) and DFT-B3LYP level spectroscopic studies of BrCCCN and the analysis of atomic polar tensors

Journal of Molecular Structure: THEOCHEM

Volumn 730, Issue 1-3, 2005, Pages 23-32

  Varadwaj, Pradeep R ^a   Bangal, Prakriti R ^a  

^a SAHA INSTITUTE OF NUCLEAR PHYSICS   (India)

Author keywords

Ab initio (RHF); BrCCCN; DFT B3LYP calculations; Nitrile compounds; Spectroscopic constants

Indexed keywords

EID: 26444569285     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.12.050     Document Type: Article

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