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Journal of Molecular Structure: THEOCHEM

Volumn 620, Issue 1, 2003, Pages 15-20

MD and MC simulations of hydrated manganous ion including three-body effects

(4) Yagüe, Jorge I a Mohammed, Ahmed M a,b Loeffler, Hannes H a Rode, Bernd M a

a UNIVERSITY OF INNSBRUCK (Austria)

b ADDIS ABABA UNIVERSITY (Ethiopia)

Author keywords

Hydration; Ions in solution; Mn(II); Molecular dynamics; Monte Carlo

Indexed keywords

MANGANESE;

AB INITIO CALCULATION; ARTICLE; CHEMICAL BINDING; CHEMICAL STRUCTURE; HYDRATION; MOLECULAR DYNAMICS; MONTE CARLO METHOD; SIMULATION; STRUCTURE ANALYSIS;

EID: 0037414917 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(02)00472-4 Document Type: Article

Times cited : (10)

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