ListarArtículos (Instituto de Ciencia de Materiales de Sevilla (ICMS) – CIC Cartuja) por materia "MP2"
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Artículo
Assessment of the performance of commonly used DFT functionals vs. MP2 in the study of IL-Water, IL-Ethanol and IL-(H2O)3 clusters
(Elsevier, 2016)We present a comparative study of the accuracy of different DFT approaches vs. MP2 for evaluating ionic liquids (ILs) + ...