Structural parameters, centrifugal distortion constants, and vibrational spectra of F2C{double bond, long}NX (X = H, F, Cl, Br) molecules

Journal of Molecular Structure

Volumn 922, Issue 1-3, 2009, Pages 11-18

  Durig, James R ^a   Zhou, Sarah Xiaohua ^a   Garner, Alexander X ^a   Durig, Nicole E ^a  

^a UNIVERSITY OF MISSOURI KANSAS CITY   (United States)

Author keywords

Ab initio calculations; F2C double bond, long NX (X = H, F, Cl, Br) molecules; Infrared and Raman spectra; r0 structural parameters

Indexed keywords

CALCULATIONS; DENSITY FUNCTIONAL THEORY; INFRARED SPECTROSCOPY; MOLECULAR SPECTROSCOPY; MOLECULES; PERTURBATION TECHNIQUES; RAMAN SCATTERING; RAMAN SPECTROSCOPY;

AB INITIO CALCULATIONS; AB-INITIO; B3LYP METHODS; BASIS SETS; CENTRIFUGAL DISTORTION CONSTANTS; F2C{DOUBLE BOND, LONG}NX (X = H, F, CL, BR) MOLECULES; FORCE CONSTANTS; HYBRID DENSITY FUNCTIONAL THEORIES; INFRARED AND RAMAN SPECTRA; INFRARED INTENSITIES; MICROWAVE DATUM; PERTURBATION METHODS; R0 STRUCTURAL PARAMETERS; RAMAN ACTIVITIES; ROTATIONAL CONSTANTS; SECOND ORDERS; VIBRATIONAL FREQUENCIES;

CHEMICAL BONDS;

EID: 61849084679     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2009.01.052     Document Type: Article

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