Vibrational properties and first hyperpolarizability of cyclopentadiene homologues C4H4XH2 (X = C, Si, Ge, Sn): Ab initio HF and DFT investigation

Journal of Molecular Structure: THEOCHEM

Volumn 640, Issue 1-3, 2003, Pages 123-131

  Alparone, A ^a   Millefiori, A ^a   Millefiori, S ^a  

^a UNIVERSITY OF CATANIA   (Italy)

Author keywords

Cyclopentadiene homologues; Hyperpolarizability; Raman spectra

Indexed keywords

CYCLOPENTADIENE DERIVATIVE;

AB INITIO CALCULATION; ARTICLE; CALCULATION; DENSITY FUNCTIONAL THEORY; EVALUATION; HYPERPOLARIZATION; INFRARED SPECTROMETRY; OSCILLATORY POTENTIAL; RAMAN SPECTROMETRY;

EID: 0842306254     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2003.08.110     Document Type: Article

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