Publicaciones en colaboración con investigadoras/es de University of Minnesota (24)

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

  2. O2activation and selective phenolate ortho hydroxylation by an unsymmetric dicopper μη1: η1-peroxido Complex

    Angewandte Chemie - International Edition, Vol. 49, Núm. 13, pp. 2406-2409

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. Ellipticity: A convenient tool to characterize electrocyclic reactions

    Chemistry - A European Journal, Vol. 11, Núm. 6, pp. 1734-1738

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

    Chemical Communications, pp. 3909-3911

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

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

  5. 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