Ab initio studies of solvent effect on molecular conformation and vibrational spectra of diacetamide

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 60, Issue 5, 2004, Pages 1115-1126

  Nandini, G ^a   Sathyanarayana, D N ^a  

^a INDIAN INSTITUTE OF SCIENCE   (India)

Author keywords

Ab initio calculations; Diacetamide; Molecular geometry; Solvent effect; Vibrational spectra

Indexed keywords

AMMONIA; CONFORMATIONS; DRUG PRODUCTS; HYDROGEN BONDS; METHANOL; MOLECULAR ORIENTATION; NUCLEAR MAGNETIC RESONANCE; PERMITTIVITY; RAMAN SPECTROSCOPY; SPECTRUM ANALYSIS; STRUCTURE (COMPOSITION); WATER;

AB INITIO CALCULATIONS; DIACETAMIDE; MOLECULAR GEOMETRY; SOLVENT EFFECTS; VIBRATIONAL SPECTRA;

NITROGEN COMPOUNDS;

ACETAMIDE DERIVATIVE; IMINE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER PROGRAM; CONFORMATION; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTEIN CONFORMATION; RAMAN SPECTROMETRY; SPECTROPHOTOMETRY; TEMPERATURE;

ACETAMIDES; IMINES; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL; MOLECULAR CONFORMATION; PROTEIN CONFORMATION; SOFTWARE; SPECTROPHOTOMETRY; SPECTRUM ANALYSIS, RAMAN; TEMPERATURE;

EID: 1842842942     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2003.07.008     Document Type: Article

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