Hydrated structure of ammonia-water molecule pair via the free energy gradient method: Realization of zero gradient and force balance on free energy surfaces

Journal of Chemical Physics

Volumn 119, Issue 15, 2003, Pages 7972-7978

  Nagae, Yukihiko ^a   Oishi, Yuki ^a   Naruse, Norihiro ^a   Nagaoka, Masataka ^a  

^a NAGOYA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIA; CHEMICAL BONDS; FREE ENERGY; HYDRATION; MOLECULAR STRUCTURE; PHASE COMPOSITION; WATER;

HYDRATED STRUCTURE;

MOLECULAR DYNAMICS;

EID: 0242289597     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1610436     Document Type: Article

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