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• W3106421258 abstract "A method is presented that allows to combine the effective potential between two nano crystals (NC), the potential of mean force (PMF), as obtained from all-atomistic molecular dynamics simulations with perturbation theory. In this way, a functional dependence of the PMF on temperature is derived, which enables the prediction of the PMF in a wide temperature range. We applied the method to systems of capped gold NCs of different size. They show very good agreement with data from atomistic simulations." @default.
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• W3106421258 date "2014-09-17" @default.
• W3106421258 modified "2023-10-17" @default.
• W3106421258 title "Effective potentials between gold nano crystals – functional dependence on temperature" @default.
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• W3106421258 doi "https://doi.org/10.1080/08927022.2014.951521" @default.
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