Group additive values for the gas phase standard enthalpy of formation of hydrocarbons and hydrocarbon radicals

Journal of Physical Chemistry A

Volumn 109, Issue 33, 2005, Pages 7466-7480

  Sabbe, Maarten K ^a   Saeys, Mark ^a,b   Reyniers, Marie Françoise ^a   Marin, Guy B ^a   Van Speybroeck, Veronique ^a   Waroquier, Michel ^a  

^a GHENT UNIVERSITY   (Belgium)

^b NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; DATABASE SYSTEMS; HYDROCARBONS; HYDROGEN BONDS; MOLECULAR STRUCTURE;

GROUP ADDITIVE VALUES (GAV); HYDROGEN BOND INCREMENTS (HBI); MEAN ABSOLUTE DEVIATION (MAD); NON-NEXT-NEAREST NEIGHBOR INTERACTION (NNI);

ENTHALPY;

EID: 24944548004     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp050484r     Document Type: Article

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52. -1 depending on the isodesmic reaction considered.