Systematic Comparison of Force Fields for Microscopic Simulations of NaCl in Aqueous Solutions: Diffusion, Free Energy of Hydration, and Structural Properties

Journal of Computational Chemistry

Volumn 25, Issue 5, 2004, Pages 678-689

  Patra, Michael ^a   Karttunen, Mikko ^a  

^a AALTO UNIVERSITY   (Finland)

Author keywords

Electrolytes; Force fields; Molecular dynamics

Indexed keywords

COMPUTER SIMULATION; DIFFUSION; ELECTROLYTES; ELECTROSTATICS; FREE ENERGY; HYDRATION; IONIC CONDUCTION; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE;

BIOLOGICAL SYSTEMS; FORCE FIELDS;

SODIUM CHLORIDE;

EID: 1842738520     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10417     Document Type: Article

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