Heats of formation from DFT calculations: An examination of several parameterizations

Journal of Physical Chemistry A

Volumn 105, Issue 40, 2001, Pages 9196-9202

  Guthrie, J Peter ^a  

^a UNIVERSITY OF WESTERN ONTARIO   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; ENTHALPY; ENTROPY; HYDROGEN; OPTIMIZATION; PROBABILITY DENSITY FUNCTION;

HEAT OF FORMATION;

THERMODYNAMICS;

EID: 0035846410     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp010355k     Document Type: Article

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