Reactions of HSCH2 radical with O2, NO, and NO2: Ab initio calculations of enthalpies of reaction

Journal of Physical Chemistry A

Volumn 102, Issue 1, 1998, Pages 270-273

  Trindle, Carl ^a   Romberg, Kristin ^a  

^a UNIVERSITY OF VIRGINIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; ENTHALPY; NITROGEN OXIDES; OXYGEN; REACTION KINETICS; SULFUR COMPOUNDS;

DENSITY FUNCTIONAL THEORY (DFT); GROUP ADDITIVITY PRINCIPLE; HARTREE FOCK METHOD; THERMOCHEMISTRY;

FREE RADICAL REACTIONS;

EID: 0031646274     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp972768k     Document Type: Article

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13. From JANAF Thermochemical Tables, 3rd ed.; J. Phy. Chem. Ref. Data Suppl. 1, part II 1985, 14, 1252. Ref 8 uses a value 26.0 kcal/mol = 109 kj/mol, from: Pedley, J. B.; Thermochemical Data and Structures of Organic Compounds, Vol. 1; Thermodynamics Research Center: College Station, TX, 1994.
14. From JANAF Thermochemical Tables, 3rd ed.; J. Phy. Chem. Ref. Data Suppl. 1, part II 1985, 14, 1252. Ref 8 uses a value 26.0 kcal/mol = 109 kj/mol, from: Pedley, J. B.; Thermochemical Data and Structures of Organic Compounds, Vol. 1; Thermodynamics Research Center: College Station, TX, 1994.
15. From JANAF Thermochemical Tables, 3rd ed.; J. Phy. Chem. Ref. Data Suppl. 1, part II 1985, 14, 1252. Ref 8 uses a value 26.0 kcal/mol = 109 kj/mol, from: Pedley, J. B.; Thermochemical Data and Structures of Organic Compounds, Vol. 1; Thermodynamics Research Center: College Station, TX, 1994.