Zero-point vibrational averaging correction for second harmonic generation in para-nitroaniline

Journal of Molecular Structure: THEOCHEM

Volumn 633, Issue 2-3, 2003, Pages 199-207

  Quinet, Olivier ^a   Champagne, Benoît ^a   Kirtman, Bernard ^b  

^a UNIVERSITY OF NAMUR   (Belgium)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

para Nitroaniline; Second harmonic generation; Time dependent Hartree Fock; Zero point vibrational averaging

Indexed keywords

4 NITROANILINE;

ARTICLE; ELECTROCHEMISTRY; GEOMETRY; HYPERPOLARIZATION; MOLECULAR DYNAMICS; TIME; VIBRATION;

EID: 0042470694     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00274-4     Document Type: Article

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