Browsing by Author "b044f673-7e50-4313-9f44-dadc863e3791"
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Yepes, Diana; Munarriz, Julen; l'Anson, Daniel; Contreras García, Julia; Jaque Olmedo, Pablo (American Chemical Society, 2020)In this article, we present a complementary analysis based on the reaction force F(xi)/reaction force constant kappa(xi) and noncovalent interactions (NCI) index to characterize the energetics (kinetic and thermodynamics) ...