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Enol tautomers of Watson-Crick base pair models are metastable because of nuclear quantum effects
ArticleAbstract: Intermolecular enol tautomers of Watson-Crick base pairs could emerge spontaneously via interbase doPalabras claves:Autores:Alejandro Pérez Paz, Hjalmarson H., Tuckerman M.E., Von Lilienfeld O.Fuentes:googlescopusPath integral computation of quantum free energy differences due to alchemical transformations involving mass and potential
ArticleAbstract: Thermodynamic integration, perturbation theory, and λ-dynamics methods were applied to path integralPalabras claves:Autores:Alejandro Pérez Paz, Von Lilienfeld O.Fuentes:googlescopus