A linear-scaling self-consistent generalization of the multistate empirical valence bond method for multiple excess protons in aqueous systems

Journal of Chemical Physics

Volumn 122, Issue 14, 2005, Pages

  Wang, Feng ^a   Voth, Gregory A ^a  

^a UNIVERSITY OF UTAH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR DYNAMICS SIMULATION; MULTISTATE EMPIRICAL VALENCE BOND (MS-EVB) METHOD; PROTON BINDING; WATER MOLECULES;

BINDING ENERGY; COMPUTER SIMULATION; EIGENVALUES AND EIGENFUNCTIONS; ELECTROLYSIS; HYDROGEN BONDS; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; POSITIVE IONS; PROTONS; VECTORS;

MOLECULAR DYNAMICS;

EID: 20844444009     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1881092     Document Type: Article

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