Water exchange dynamics of manganese(II)
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Hannes H. Loffler; Ahmed M. Mohammed; Yasuhiro Inada; Shigenobu Funahashi
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Article
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2006
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John Wiley and Sons
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English
β 172 KB
## Abstract The first row transition metal ions Mn^2+^, Co^2+^, and Ni^2+^ have been studied by classical umbrella sampling molecular dynamics simulations. The water exchange mechanisms, estimates of reaction rates, as well as structural changes during the activation process are discussed. Mn^2+^ w