Use of DFT methods for the calculation of the entropy of gas phase organic molecules: An examination of the quality of results from a simple approach

Journal of Physical Chemistry A

Volumn 105, Issue 37, 2001, Pages 8495-8499

  Guthrie, J Peter ^a  

^a UNIVERSITY OF WESTERN ONTARIO   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

GAS-PHASE ORGANIC MOLECULES;

CARBON; ENTROPY; FREE ENERGY; PROBABILITY DENSITY FUNCTION;

ORGANIC COMPOUNDS;

EID: 0035921577     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp010321c     Document Type: Article

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