Coupled cluster CCSD(T) calculations of equilibrium geometries, anharmonic force fields, and thermodynamic properties of the formyl (HCO) and isoformyl (COH) radical species

Journal of Physical Chemistry A

Volumn 107, Issue 13, 2003, Pages 2343-2350

  Marenich, Aleksandr V ^a   Boggs, James E ^a  

^a UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC FORCE FIELDS; COUPLED CLUSTER CALCULATIONS; COUPLED ELECTRON CORRELATION TECHNIQUE; FORMYL RADICAL SPECIES; ISOFORMYL RADICAL SPECIES; ISOMERIZATION ENERGY;

CALCULATIONS; ELECTRON TRANSITIONS; ISOMERIZATION; MOLECULAR STRUCTURE; ORGANIC COMPOUNDS; SPECTROSCOPIC ANALYSIS; THERMODYNAMIC PROPERTIES;

FREE RADICALS;

EID: 0038731178     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0223298     Document Type: Article

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