Binding free energy, energy and entropy calculations using simple model systems

Theoretical Chemistry Accounts

Volumn 131, Issue 10, 2012, Pages 1-13

  Lai, Balder ^a   Oostenbrink, Chris ^a  

^a UNIVERSITY OF NATURAL RESOURCES AND LIFE SCIENCES   (Austria)

Author keywords

Enthalpy; Entropy; Fullerene model system; Ligand surrounding energy; Thermodynamic integration; Thermodynamics

Indexed keywords

EID: 84866489777     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-012-1272-1     Document Type: Article

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