Electronic structure, non-linear properties and vibrational analysis of Acenaphthene and its carbonyl derivative Acenaphthenequinone by density functional theory

Journal of Molecular Structure: THEOCHEM

Volumn 958, Issue 1-3, 2010, Pages 33-40

  Sinha, Leena ^a   Prasad, Onkar ^a   Narayan, Vijay ^a   Srivastava, Rajesh K ^a  

^a UNIVERSITY OF LUCKNOW   (India)

Author keywords

Frontier orbitals; Molecular electrostatic potential contours surfaces; Normal modes

Indexed keywords

EID: 77956779440     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2010.07.026     Document Type: Article

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