Weinhold's QCE model - A modified parameter fit. Model study of liquid methanol based on MP2 cluster geometries

Journal of Molecular Structure: THEOCHEM

Volumn 956, Issue 1-3, 2010, Pages 103-109

  Matisz, Gergely ^a,b   Fabian, Walter M F ^b   Kelterer, Anne Marie ^c   Kunsági Máté, Sándor ^a  

^a UNIVERSITY OF PÉCS   (Hungary)

^b UNIVERSITY OF GRAZ   (Austria)

^c GRAZ UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

Entropy; Heat capacity; Liquid methanol; MP2 calculations; Quantum cluster equilibrium theory; Structure

Indexed keywords

EID: 77955665360     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2010.07.003     Document Type: Article

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