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Showing 1 to 1 of 1 for “"Sublimation enthalpy"”.
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Towards routine modelling of condensed phases with the accuracy of quantum Diffusion Monte Carlo
… nano-confined water; and (ii) calculating sublimation enthalpies for organic molecular crystals and pharmaceutical systems, incorporating anharmonicity and nuclear quantum effects. In summary, this thesis presents a robust and comprehensive framework for accurately and efficiently modelling …