Conformational stability from rare gas solutions, r0 structural parameters, barriers to internal rotation, and Ab initio calculations for vinyl silyl fluoride

Journal of Physical Chemistry A

Volumn 113, Issue 8, 2009, Pages 1653-1662

  Nashed, Yasser E ^a,b   Qtaitat, Mohammad A ^c   Zheng, Chao ^a   Zhou, Xiaohua ^a   Guirgis, Gamil A ^d   Sullivan, Joann F ^e   Durig, James R ^a  

^a UNIVERSITY OF MISSOURI KANSAS CITY   (United States)

^b MUTAH UNIVERSITY   (Jordan)

^c Department of Teacher Education and Department of Sociology and Anthropology   (United States)

^d MEDICAL UNIVERSITY OF SOUTH CAROLINA   (United States)

^e AMGEN INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB-INITIO; AB-INITIO CALCULATIONS; B3LYP METHODS; BARRIERS TO INTERNAL ROTATIONS; BASIS SETS; CONFORMATIONAL STABILITIES; DENSITY FUNCTIONAL; DIHEDRAL ANGLES; ELECTRONIC ENERGIES; ENTHALPY DIFFERENCES; EQUILIBRIUM GEOMETRIES; FAR-INFRARED SPECTRUM; FOURIER; GAUCHE CONFORMERS; HOT BANDS; INFRARED SPECTRUM; LIQUID XENONS; LOWER FREQUENCIES; PERTURBATION METHODS; POTENTIAL FUNCTIONS; RAMAN SPECTRUM; RARE GAS; RESTRICTED HARTREE-FOCK; ROTAMERS; ROTATIONAL CONSTANTS; SECOND ORDERS; STABLE FORMS; STRUCTURAL PARAMETERS; THEORETICAL RESULTS; VARIABLE TEMPERATURES; VIBRATIONAL ASSIGNMENTS; XENON SOLUTIONS;

CHLORINE COMPOUNDS; CONFORMATIONS; DENSITY FUNCTIONAL THEORY; DISSOLUTION; ENTHALPY; KRYPTON; LIQUIDS; PERTURBATION TECHNIQUES; SILANES; SPECTRUM ANALYSIS; XENON;

INFRARED SPECTROSCOPY;

FLUORIDE; INERT GAS; VINYL DERIVATIVE;

ARTICLE; CHEMISTRY; CONFORMATION; ELECTRON; INFRARED SPECTROPHOTOMETRY; QUANTUM THEORY; RAMAN SPECTROMETRY; THERMODYNAMICS;

ELECTRONS; FLUORIDES; MOLECULAR CONFORMATION; NOBLE GASES; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED; SPECTRUM ANALYSIS, RAMAN; THERMODYNAMICS; VINYL COMPOUNDS;

EID: 63849196601     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp8076547     Document Type: Article

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