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Material Type: Artigo
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Using dispersion-corrected density functional theory to understand supramolecular binding thermodynamicsElectronic supplementary information (ESI) available: Cartesian coordinates of the discussed example complexes, contributions to ΔGa and final ΔGa values. See DOI: 10.1039/c4cc06722cAntony, Jens ; Sure, Rebecca ; Grimme, Stefan2015-01Texto completo disponível |