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- W4248319857 abstract "Molecular dynamics simulations of the liquid-liquid interface between water and 1,2-Dichloroethane in the presence of weak external electric fields.<div>The effect of the use of 3D periodic Ewald summation and the effect of the simulation setup are discussed.</div><div>A new simple geometric method for designing the simulation cell is proposed. This method was thoroughly tested shown that it mitigates any artefacts to the use of 3D Ewald summation with external electric field.</div>" @default.
- W4248319857 created "2022-05-12" @default.
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- W4248319857 date "2020-09-01" @default.
- W4248319857 modified "2023-09-30" @default.
- W4248319857 title "Molecular Dynamics Simulations of Liquid-Liquid Interfaces in an Electric Field: the Water-1,2-Dichloroethane Interface" @default.
- W4248319857 doi "https://doi.org/10.26434/chemrxiv.12899831" @default.
- W4248319857 hasPublicationYear "2020" @default.
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