The calculation of molecular entropy using the semiempirical AM1 method

Journal of Molecular Structure: THEOCHEM

Volumn 363, Issue 2, 1996, Pages 203-209

  Barrett, Rosemary A ^a,b   Meier, Robert J ^a  

^a DSM RESEARCH   (Netherlands)

^b UNIVERSITY OF YORK   (United Kingdom)

Author keywords

AM1; Entropy; Heat of formation; Semiempirical; Thermodynamics

Indexed keywords

EID: 0347037467     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/0166-1280(95)04438-8     Document Type: Article

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