Vibrational spectrum, ab initio calculations, conformational equilibria and torsional modes of 1,3-dichloropropane

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 60, Issue 3, 2004, Pages 659-671

  Duffy, Daniel J ^a   Quenneville, Jason ^a   Baumbaugh, T M ^a   Kitchener, S A ^a   McCormick, R K ^a   Dormady, C N ^a   Croce, T A ^a   Navabi, A ^a   Stidham, Howard D ^a   Hsu, Shaw L ^a   Guirgis, Gamil A ^b   Deng, Shiping ^c   Durig, James R ^c  

^a UNIVERSITY OF MASSACHUSETTS   (United States)

^b School of Business   (United States)

^c UNIVERSITY OF MISSOURI KANSAS CITY   (United States)

Author keywords

Ab initio calculations; Conformational equilibria 1,3 dichloropropane; Vibrational spectrum

Indexed keywords

COMPUTATIONAL METHODS; CONFORMATIONS; DISTILLATION; ELECTRON DIFFRACTION; ENTHALPY; FOURIER TRANSFORMS; INFRARED SPECTROSCOPY; INTERFEROMETERS; MOLECULAR VIBRATIONS; MONTE CARLO METHODS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PHOTOMULTIPLIERS; POLARIZATION; RAMAN SCATTERING; SOLVENTS; VAN DER WAALS FORCES;

AB INITIO CALCULATIONS; GAUCHE CONFORMATIONS; VIBRATIONAL SPECTRUM;

ORGANIC COMPOUNDS;

1,3 DICHLOROPROPANE; 1,3-DICHLOROPROPANE; DRUG DERIVATIVE; PROPANE;

ARTICLE; CHEMISTRY; CONFORMATION; INFRARED SPECTROPHOTOMETRY; RAMAN SPECTROMETRY; TEMPERATURE;

MOLECULAR CONFORMATION; PROPANE; SPECTROPHOTOMETRY, INFRARED; SPECTRUM ANALYSIS, RAMAN; TEMPERATURE;

EID: 4644313510     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1386-1425(03)00276-2     Document Type: Article

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