Fundamental vibrational frequencies and spectroscopic constants for the methylperoxyl radical, CH 3O 2, and related isotopologues 13CH 3OO, CH 3 18O 18O, and CD 3OO

Molecular Physics

Volumn 110, Issue 19-20, 2012, Pages 2419-2427

  Agarwal, Jay ^a   Simmonett, Andrew C ^a   Schaefer, Henry F ^a  

^a UNIVERSITY OF GEORGIA   (United States)

Author keywords

anharmonic; Fermi resonances; isotopologues; methylperoxyl radical; vibrational frequencies

Indexed keywords

ANHARMONIC; ANHARMONIC VIBRATIONAL FREQUENCY; ANHARMONICITIES; BASIS SETS; CCSD; COUPLED-CLUSTER THEORY; EQUILIBRIUM GEOMETRIES; EXPERIMENTAL MEASUREMENTS; EXPERIMENTAL OBSERVATION; FERMI RESONANCES; FORCE FIELDS; FOURTH-ORDER; GEOMETRIC CONSTANT; ISOTOPOLOGUES; LOW-INTENSITY; METHYLPEROXYL RADICAL; NORMAL COORDINATE; PERTURBATIVE TRIPLE EXCITATIONS; ROTATIONAL CONSTANTS; SPECTROSCOPIC CONSTANTS; TAYLOR EXPANSIONS; THIRD-ORDER; VIBRATIONAL MODES;

QUANTUM CHEMISTRY; VIBRATIONAL SPECTRA;

GEOMETRY;

EID: 84861919518     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2012.690538     Document Type: Article

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