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Showing 1 to 1 of 1 for “"Molecular dynamics, Ionic liquids"”.
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Use of molecular dynamics simulations to study the impact of weak to strong non-covalent chemical interactions
In this thesis, we have used Molecular Dynamics (MD) to study the role of van der Waals and Coulomb interactions on two fundamental processes, namely, gas-surface interactions and electrospray propulsion, respectively. For the gas-surface interaction work, we proved that conventionally used gas …