Publicaciones en colaboración con investigadoras/es de University of Minnesota (37)

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

2021

  1. Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

    Journal of Chemical Physics, Vol. 155, Núm. 8

2019

  1. Strategies for interfacial localization of graphene/polyethylene-based cocontinuous blends for electrical percolation

    AIChE Journal, Vol. 65, Núm. 6

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

2017

  1. High electrical conductivity and oxygen barrier property of polymer-stabilized graphene thin films

    Carbon, Vol. 125, pp. 492-499

  2. Localizing graphene at the interface of HDPE/PLA polymer blends

    Materials Engineering and Sciences Division 2017 - Core Programming Area at the 2017 AIChE Annual Meeting

2015

  1. Quantum chemical calculations and experimental investigations of molecular actinide oxides

    Chemical Reviews, Vol. 115, Núm. 4, pp. 1725-1759

2013

  1. Theoretic study of the electronic spectra of neutral and cationic PaO and PaO2

    Structural Chemistry, Vol. 24, Núm. 3, pp. 917-925

2011

  1. How accurate are electronic structure methods for actinoid chemistry?

    Theoretical Chemistry Accounts, Vol. 129, Núm. 3-5, pp. 657-666

  2. On the nature of actinide- and lanthanide-metal bonds in heterobimetallic compounds

    Chemistry - A European Journal, Vol. 17, Núm. 30, pp. 8424-8433

2010

  1. Equilibrium mercury isotope fractionation between dissolved Hg(II) species and thiol-bound Hg

    Environmental Science and Technology, Vol. 44, Núm. 11, pp. 4191-4197

  2. Ionization energies for the actinide mono- and dioxides series, from Th to Cm: Theory versus experiment

    Journal of Physical Chemistry A, Vol. 114, Núm. 19, pp. 6007-6015

  3. 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

  4. Noble gas matrices may change the electronic structure of trapped molecules: The UO2(Ng)4 [Ng = Ne, Ar] case

    Chemistry - A European Journal, Vol. 16, Núm. 43, pp. 12804-12807

  5. 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

  6. U and P4 reaction products: A quantum chemical and matrix isolation spectroscopic investigation

    Inorganic Chemistry, Vol. 49, Núm. 20, pp. 9230-9235