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On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers : a thesis submitted to Massey University in Albany, Auckland in fulfilment of the requirements for the degree of Doctor of Philosophy in Chemistry, Massey University, Auckland86

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On using automated algorithms to parameterise molecules for molecular dynamics simulations and investigating suitable ensembles for the simulation of naphthalimide monolayers : a thesis submitted to Massey University in Albany, Auckland in fulfilment of the requirements for the degree of Doctor of Philosophy in Chemistry, Massey University, Auckland54531074

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