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Effects of boundary conditions on structure and energy calculations for aqueous methane solutions

✍ Scribed by I. I. Sheikhet; B. Ya. Simkin


Publisher
SP MAIK Nauka/Interperiodica
Year
1987
Tongue
English
Weight
480 KB
Volume
28
Category
Article
ISSN
0022-4766

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## Abstract We performed several molecular dynamic studies of metal cations in aqueous solution. The alkali metal ion Li^+^ and the first‐row transition metal ion Mn^2+^ have been chosen as model systems. Two different three‐body corrections are proposed to mimic the crucial many‐body effects of el