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- W2022158410 abstract "Recently a method was proposed by the authors to include electric polarization in molecular dynamics simulations, using a noniterative procedure. Here it is shown that this method is particularly well suited for the calculation of free energy differences between systems that differ in polarizabilities." @default.
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- W2022158410 date "1990-03-01" @default.
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- W2022158410 title "Free energy thermodynamic integrations in molecular dynamics simulations using a noniterative method to include electronic polarization" @default.
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