Simulation of the Raman spectra of zwitterionic glycine + nH2O (n = 1, 2, . . ., 5) by means of DFT calculations and comparison to the experimentally observed Raman spectra of glycine in aqueous medium

Vibrational Spectroscopy

Volumn 55, Issue 1, 2011, Pages 69-76

  Vyas, Nidhi ^a   Ojha, Animesh K ^a,b   Materny, Arnulf ^b  

^a MOTILAL NEHRU NATIONAL INSTITUTE OF TECHNOLOGY   (India)

^b JACOBS UNIVERSITY BREMEN   (Germany)

Author keywords

DFT; Glycine; Raman spectra

Indexed keywords

AMINO ACIDS; BINDING ENERGY; COMPLEXATION; HYDROGEN; HYDROGEN BONDS; MOLECULES; RAMAN SPECTROSCOPY; SOLUTIONS; TUNGSTEN COMPOUNDS;

AQUEOUS MEDIUM; AQUEOUS SOLUTIONS; DFT; DFT CALCULATION; DIPOLE DIPOLE INTERACTIONS; GLYCINE; GLYCINE MOLECULE; GROUND STATE GEOMETRY; HYDROGEN BOND INTERACTION; HYDROGEN-BONDED COMPLEXES; RAMAN SPECTRA; STABLE CONFORMERS; STERIC HINDRANCES; STRUCTURAL DETAILS; WATER MOLECULE; ZWITTERIONIC FORMS; ZWITTERIONIC STRUCTURE;

RAMAN SCATTERING;

EID: 84961980705     PISSN: 09242031     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.vibspec.2010.08.007     Document Type: Article

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