Raman and Infrared Wavenumbers, Normal Coordinate Analyses, Barrier to Internal Rotation and Ring Inversion in 4-Cyclopentenecarboxaldehyde Based on Ab Initio Calculations

Journal of Raman Spectroscopy

Volumn 29, Issue 12, 1998, Pages 1009-1017

  Badawi, Hassan M ^a   Förner, Wolfgang ^a  

^a KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS   (Saudi Arabia)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; POTENTIAL ENERGY; QUANTUM CHEMISTRY; VIBRATIONS (MECHANICAL);

AB INITIO CALCULATIONS; BARRIERS TO INTERNAL ROTATIONS; BASIS SETS; CONFORMATIONAL STABILITIES; NORMAL COORDINATE ANALYSIS; RESTRICTED HARTREE-FOCK; RING INVERSION; SECOND ORDERS; VIBRATIONAL WAVENUMBERS; WAVE NUMBERS;

MOLECULES;

EID: 0000521999     PISSN: 03770486     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-4555(199812)29:12<1009::AID-JRS302>3.0.CO;2-R     Document Type: Article

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