Publicaciones en colaboración con investigadoras/es de University of Minnesota (22)

2023

  1. Tuning the crystallization and thermal properties of polyesters by introducing functional groups that induce intermolecular interactions

    The Journal of chemical physics, Vol. 159, Núm. 8

2022

  1. Ductile gas barrier poly(ester-amide)s derived from glycolide

    Polymer Chemistry, Vol. 13, Núm. 26, pp. 3882-3891

  2. Moiré nematic phase in twisted double bilayer graphene

    Nature Physics, Vol. 18, Núm. 2, pp. 196-202

  3. The role of intermolecular interactions on melt memory and thermal fractionation of semicrystalline polymers

    Journal of Chemical Physics, Vol. 156, Núm. 14

  4. Treating the plastic problem: From renewable feedstocks and degradability to recycling

    Journal of Polymer Science

2018

  1. Field-free switching of a perpendicular magnetic tunnel junction through the interplay of spin–orbit and spin-transfer torques

    Nature Electronics, Vol. 1, Núm. 11, pp. 582-588

2010

  1. Molecular dynamics simulation of bovine pancreatic ribonuclease A-CpA and transition state-like complexes

    Journal of Physical Chemistry B, Vol. 114, Núm. 21, pp. 7371-7382

2009

  1. A dynamic landscape from femtoseconds to minutes for excess electrons at ice - metal interfaces

    Journal of Physical Chemistry C, Vol. 113, Núm. 3, pp. 979-988

2008

  1. Confined crystallization and morphology of melt segregated PLLA-b-PE and PLDA-b-PE diblock copolymers

    Macromolecules, Vol. 41, Núm. 16, pp. 6154-6164

2006

  1. Nucleation and crystallization of PLDA-6-PE and PLLA-6-PE diblock copolymers

    Macromolecular Symposia

  2. Nucleophilic attack on phosphate diesters: A density functional study of in-line reactivity in dianionic, monoanionic, and neutral systems

    Journal of Physical Chemistry B, Vol. 110, Núm. 23, pp. 11525-11539

  3. QCRNA 1.0: A database of quantum calculations for RNA catalysis

    Journal of Molecular Graphics and Modelling, Vol. 25, Núm. 4, pp. 423-433

2005

  1. Density functional study of the in-line mechanism of methanolysis of cyclic phosphate and thiophosphate esters in solution: Insight into thio effects in RNA transesterification

    Journal of Physical Chemistry B, Vol. 109, Núm. 42, pp. 19987-20003

  2. Kinetic isotope effects on thio-substituted biological phosphoryl transfer reactions from density-functional theory

    Chemical Communications, pp. 3909-3911

  3. Miscibility and crystallization in polycarbonate/poly(ε-caprolactone) blends: Application of the self-concentration model

    Macromolecules, Vol. 38, Núm. 12, pp. 5109-5117

  4. Theoretical methods that help understanding the structure and reactivity of gas phase ions

    International Journal of Mass Spectrometry, Vol. 240, Núm. 1, pp. 37-99

2004

  1. Hybrid QM/MM study of thio effects in transphosphorylation reactions: The role of solvation

    Journal of the American Chemical Society, Vol. 126, Núm. 24, pp. 7504-7513

  2. Pseudorotation of natural and chemically modified biological phosphoranes: Implications for RNA catalysis

    ChemPhysChem, Vol. 5, Núm. 7, pp. 1045-1049

  3. The Structure and Stability of Biological Metaphosphate, Phosphate, and Phosphorane Compounds in the Gas Phase and in Solution

    Journal of the American Chemical Society, Vol. 126, Núm. 6, pp. 1654-1665

2003

  1. Hybrid QM/MM study of thio effects in transphosphorylation reactions

    Journal of the American Chemical Society, Vol. 125, Núm. 24, pp. 7178-7179