Biasing the center of charge in molecular dynamics simulations with empirical valence bond models: Free energetics of an excess proton in a water droplet

Journal of Physical Chemistry B

Volumn 112, Issue 8, 2008, Pages 2349-2356

  Köfinger, Jürgen ^a   Dellago, Christoph ^a  

^a UNIVERSITY OF VIENNA   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; PERTURBATION TECHNIQUES; PROTON TRANSFER;

CONTINUUM ELECTROSTATICS; MOLECULAR SYSTEMS; VALENCE BOND MODELS;

MOLECULAR DYNAMICS;

EID: 40549146587     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0736185     Document Type: Article

References (51)