Non-bonded interactions and its contribution to the NLO activity of Glycine Sodium Nitrate - A vibrational approach

Journal of Molecular Structure

Volumn 877, Issue 1-3, 2008, Pages 20-35

  Vijayakumar, T ^a   Hubert Joe, I ^a   Reghunadhan Nair, C P ^b   Jayakumar, V S ^a  

^a MAR IVANIOS COLLEGE   (India)

^b INDIAN SPACE RESEARCH ORGANISATION   (India)

Author keywords

Ab initio computations; DFT; First hyperpolarizability; FT IR; Glycine conformers; Ionic hydrogen bonds; Natural Bond Orbital analysis; NIR FT Raman; Nonlinear optics; SHG; Twisted Intramolecular Charge Transfer (TICT)

Indexed keywords

DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; RAMAN SPECTROSCOPY; SODIUM COMPOUNDS; VIBRATIONAL SPECTRA;

HYPERPOLARIZABILITY; SODIUM NITRATE; TWISTED INTRAMOLECULAR CHARGE TRANSFER;

AMINO ACIDS;

EID: 40849097555     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2007.07.021     Document Type: Article

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