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Critical Review

The calculation of thermodynamic properties of molecules

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a
Center for Molecular Modelling, Ghent University, Technologiepark 903, 9052 Zwijnaarde, Belgium
E-mail: veronique.vanspeybroeck@ugent.be;
Fax: +32 9 2646697 ;
Tel: +31 9 2646558
b
Director-CAPEC, Department of Chemical & Biochemical Engineering, Soltofts Plads, Building 229, Technical University of Denmark, DK-2800 Lyngby, Denmark
E-mail: rag@kt.dtu.dk;
Fax: +45 45932906 ;
Tel: +45 45252882
c
FRSC Institute of Chemistry and Dynamics of the Geosphere IV: Agrosphere, Forschungszentrum Jülich GmbH, D-52425 Jülich, Germany
E-mail: r.meier@planet.nl;
Fax: +31 84 7458853 ;
Tel: +31 6 51224998
d
Chemistry Department, and the University of York, York, UK
E-mail: rjm12@york.ac.uk
Chem. Soc. Rev., 2010,39, 1764-1779

DOI: 10.1039/B809850F
Received 16 Oct 2009, First published online 11 Feb 2010
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