Canonical adiabatic free energy sampling (CAFES): A novel method for the exploration of free energy surfaces

Journal of Physical Chemistry B

Volumn 106, Issue 1, 2002, Pages 203-208

  VandeVondele, Joost ^a   Rothlisberger, Ursula ^a  

^a LABORATORY OF INORGANIC CHEMISTRY   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

FREE ENERGY SURFACES;

CATALYSIS; COMPUTER SIMULATION; ETHANOL; MOLECULAR DYNAMICS; SURFACE CHEMISTRY;

FREE ENERGY;

EID: 0037050603     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp013346k     Document Type: Article

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