Structure, stability and vibrational spectrum of the hydrogen-bonded complex between HNO3 and H2O: Ab initio and DFT studies

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 60, Issue 1-2, 2004, Pages 1-8

  Dimitrova, Yordanka ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY   (Bulgaria)

Author keywords

Ab initio; DFT; Hydrogen bonded complex; Structure; Vibrational spectra

Indexed keywords

COMPLEXATION; DISCRETE FOURIER TRANSFORMS; DISSOCIATION; HYDROGEN BONDS; INFRARED SPECTROSCOPY; MICROWAVE SPECTROSCOPY; MOLECULAR SPECTROSCOPY; MOLECULAR VIBRATIONS; NITRIC ACID;

BINARY COMPLEXES; VIBRATIONAL SPECTRA;

ORGANIC COMPOUNDS;

HYDROGEN; NITRIC ACID; OXYGEN; WATER;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; HYDROGEN BOND; INFRARED SPECTROPHOTOMETRY; METABOLISM; METHODOLOGY; PROTEIN CONFORMATION; RAMAN SPECTROMETRY; SPECTROPHOTOMETRY; THERMODYNAMICS;

HYDROGEN; HYDROGEN BONDING; MODELS, CHEMICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; NITRIC ACID; OXYGEN; PROTEIN CONFORMATION; SPECTROPHOTOMETRY; SPECTROPHOTOMETRY, INFRARED; SPECTRUM ANALYSIS, RAMAN; THERMODYNAMICS; WATER;

EID: 0344740901     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1386-1425(03)00180-X     Document Type: Article

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