IR spectra simulation as auxiliary tool for gas chromatography/Fourier transform IR spectroscopy/mass spectrometry identification of unknown compounds. 2. PM3, AM1, MNDO and MINDO3 simulations for simple nitriles

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 55, Issue 14, 1999, Pages 2771-2782

  Basiuk, Vladimir A ^a  

^a INSTITUTO DE CIENCIAS NUCLEARES   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; FOURIER TRANSFORM INFRARED SPECTROSCOPY; GAS CHROMATOGRAPHY; MASS SPECTROMETRY; NITROGEN COMPOUNDS;

NITRILES; SOFTWARE PACKAGE HYPERCHEM;

MOLECULAR SPECTROSCOPY;

EID: 0033295180     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1386-1425(99)00093-1     Document Type: Article

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