Thermochemical properties from G3MP2B3 calculations, set-2: Free radicals with special consideration of CH2==CH-C•-CH2, cyclo-•C5H5, •CH2OOH, HO-•CO, and HC(O)O•

International Journal of Chemical Kinetics

Volumn 36, Issue 12, 2004, Pages 661-686

  Janoschek, R ^a   Rossi, M J ^b  

^a UNIVERSITY OF GRAZ   (Austria)

^b EPFL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTATIONAL METHODS; COMPUTER SIMULATION; DISSOCIATION; ELECTRONIC STRUCTURE; ENTHALPY; ENTROPY; HARMONIC GENERATION; MOLECULAR VIBRATIONS; RESONANCE; SPECIFIC HEAT; THERMODYNAMICS;

DISSOCIATION ENERGY; MOMENT OF INERTIA; THERMOCHEMICAL PROPERTIES; WAVE NUMBERS;

FREE RADICALS;

EID: 10844238088     PISSN: 05388066     EISSN: None     Source Type: Journal    
DOI: 10.1002/kin.20035     Document Type: Article

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