Publicacións en colaboración con investigadores/as de University of Minnesota (36)

2023

  1. Doping the Undopable: Hybrid Molecular Beam Epitaxy Growth, n-Type Doping, and Field-Effect Transistor Using CaSnO3

    ACS nano, Vol. 17, Núm. 17, pp. 16912-16922

2019

  1. Selective Methane Oxidation to Methanol on Cu-Oxo Dimers Stabilized by Zirconia Nodes of an NU-1000 Metal-Organic Framework

    Journal of the American Chemical Society, Vol. 141, Núm. 23, pp. 9292-9304

2018

  1. Accurate Ionization Energies for Mononuclear Copper Complexes Remain a Challenge for Density Functional Theory

    ChemPhysChem, Vol. 19, Núm. 8, pp. 959-966

  2. C-H Bond Activation on Bimetallic Two-Atom Co-M Oxide Clusters Deposited on Zr-Based MOF Nodes: Effects of Doping at the Molecular Level

    ACS Catalysis, Vol. 8, Núm. 4, pp. 2864-2869

  3. Computational design of functionalized metal-organic framework nodes for catalysis

    ACS Central Science, Vol. 4, Núm. 1, pp. 5-19

  4. Evidence for a Sigmatropic and an Ionic Pathway in the Winstein Rearrangement

    Journal of Organic Chemistry, Vol. 83, Núm. 15, pp. 8214-8224

  5. Kinetics of the Methanol Reaction with OH at Interstellar, Atmospheric, and Combustion Temperatures

    Journal of the American Chemical Society, Vol. 140, Núm. 8, pp. 2906-2918

  6. Presence versus Proximity: The Role of Pendant Amines in the Catalytic Hydrolysis of a Nerve Agent Simulant

    Angewandte Chemie - International Edition, Vol. 57, Núm. 7, pp. 1949-1953

  7. Q2DTor: A program to treat torsional anharmonicity through coupled pair torsions in flexible molecules

    Computer Physics Communications, Vol. 232, pp. 190-205

  8. Structure and Dynamics of Zr6O8 Metal-Organic Framework Node Surfaces Probed with Ethanol Dehydration as a Catalytic Test Reaction

    Journal of the American Chemical Society, Vol. 140, Núm. 10, pp. 3751-3759

  9. The Role of Alkoxide Initiator, Spin State, and Oxidation State in Ring-Opening Polymerization of ϵ-Caprolactone Catalyzed by Iron Bis(imino)pyridine Complexes

    Inorganic Chemistry, Vol. 57, Núm. 4, pp. 2064-2071

2017

  1. Anharmonicity of Coupled Torsions: The Extended Two-Dimensional Torsion Method and Its Use to Assess More Approximate Methods

    Journal of Chemical Theory and Computation, Vol. 13, Núm. 8, pp. 3478-3492

  2. Atomic layer deposition of Cu(i) oxide films using Cu(II) bis(dimethylamino-2-propoxide) and water

    Dalton Transactions, Vol. 46, Núm. 18, pp. 5790-5795

  3. Computational Screening of Bimetal-Functionalized Zr6O8 MOF Nodes for Methane C-H Bond Activation

    Inorganic Chemistry, Vol. 56, Núm. 15, pp. 8739-8743

  4. Metal-Organic Framework Supported Cobalt Catalysts for the Oxidative Dehydrogenation of Propane at Low Temperature

    ACS Central Science, Vol. 3, Núm. 1, pp. 31-38

  5. Methane Oxidation to Methanol Catalyzed by Cu-Oxo Clusters Stabilized in NU-1000 Metal-Organic Framework

    Journal of the American Chemical Society, Vol. 139, Núm. 30, pp. 10294-10301

  6. Multireference Electronic Structures of Fe-Pyridine(diimine) Complexes over Multiple Oxidation States

    Journal of Physical Chemistry A, Vol. 121, Núm. 31, pp. 5932-5939

  7. Selective Decarbonylation of Fatty Acid Esters to Linear α-Olefins

    Organometallics, Vol. 36, Núm. 15, pp. 2956-2964

  8. The role of ligand redox non-innocence in ring-opening polymerization reactions catalysed by bis(imino)pyridine iron alkoxide complexes

    Dalton Transactions, Vol. 46, Núm. 38, pp. 12971-12980

2016

  1. An Exceptionally Stable Metal-Organic Framework Supported Molybdenum(VI) Oxide Catalyst for Cyclohexene Epoxidation

    Journal of the American Chemical Society, Vol. 138, Núm. 44, pp. 14720-14726