Nonperiodic boundary conditions for solvated systems

Journal of Chemical Physics

Volumn 123, Issue 4, 2005, Pages

  Petraglio, Gabriele ^a   Ceccarelli, Matteo ^b   Parrinello, Michele ^a  

^a ETH ZURICH   (Switzerland)

^b UNIVERSITY OF CAGLIARI   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ACETONITRILE; APPROXIMATION THEORY; COMPUTER SIMULATION; FREE ENERGY; MOLECULAR DYNAMICS; OPTIMIZATION; REACTION KINETICS; SOLVENTS;

COULOMB FORCES; IMAGE BOUNDARY CONDITION (IBC); PERIODIC BOUNDARY CONDITION (PBC); SOLVATED SYSTEMS;

BOUNDARY CONDITIONS;

ACETONITRILE; ACETONITRILE DERIVATIVE; PEPTIDE; WATER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; SOLUTION AND SOLUBILITY; SURFACE PROPERTY;

ACETONITRILES; COMPUTER SIMULATION; MODELS, CHEMICAL; PEPTIDES; SOLUTIONS; SURFACE PROPERTIES; WATER;

EID: 23844536155     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1955449     Document Type: Article

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