Anharmonic vibrational analysis of 3,4-diaminopyridine and 3-aminopyridine by density functional theory calculations

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 76, Issue 5, 2010, Pages 502-512

  Karpagam, J ^a   Sundaraganesan, N ^a   Kalaichelvan, S ^b   Sebastian, S ^a  

^a ANNAMALAI UNIVERSITY   (India)

^b AA Govt Arts College   (India)

Author keywords

3,4 Diaminopyridine; 3 Aminopyridine; Anharmonic; DFT; UV spectrum; Vibrational spectra

Indexed keywords

AMINOPYRIDINES; ANHARMONIC; DFT; DIAMINOPYRIDINE; UV SPECTRUM;

ABSORPTION SPECTROSCOPY; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; FOURIER TRANSFORMS; ION EXCHANGE; RAMAN SCATTERING; RAMAN SPECTROSCOPY; SPECTRUM ANALYSIS; ULTRAVIOLET SPECTROSCOPY; VIBRATIONAL SPECTRA; WAVELET TRANSFORMS;

INFRARED SPECTROSCOPY;

3 AMINOPYRIDINE; 3,4 DIAMINOPYRIDINE; 3,4-DIAMINOPYRIDINE; 3-AMINOPYRIDINE; 4 AMINOPYRIDINE; AMINOPYRIDINE DERIVATIVE; DRUG DERIVATIVE; POTASSIUM CHANNEL BLOCKING AGENT;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; INFRARED SPECTROSCOPY; METHODOLOGY; QUANTUM THEORY; RAMAN SPECTROMETRY; THEORETICAL MODEL; THERMODYNAMICS; VIBRATION;

4-AMINOPYRIDINE; AMINOPYRIDINES; MODELS, MOLECULAR; MODELS, THEORETICAL; MOLECULAR STRUCTURE; POTASSIUM CHANNEL BLOCKERS; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; THERMODYNAMICS; VIBRATION;

EID: 77953289953     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2010.04.013     Document Type: Article

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