Accurate and efficient corrections for missing dispersion interactions

1.	Accurate and efficient corrections for missing dispersion interactions in molecular simulations
Answer» Bert SELS, Marcel Van de VOORDE · 2017 · TECHNOLOGY & Engineering deduce the adsorption enthalpies from the molecular DYNAMICS simulations ... offer a favorable balance between accuracy and computational efficiency. ... In most of the functionals the missing dispersion forces are added as correction terms, ...

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