Calculation of contact angle via Young-Dupré equation with molecular dynamic simulation: Kaolinite as an example

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Engineering, Molecular Thermodynamics, Physics +13

The missing term in effective pair potentials

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A molecular dynamics method for simulations in the canonical ensemble

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Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field

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Engineering, Molecular Models, Clay Phases +20