List of works by Varinia Bernales

Atomic Layer Deposition in a Metal–Organic Framework: Synthesis, Characterization, and Performance of a Solid Acid

article

Bimetallic Cobalt–Dinitrogen Complexes: Impact of the Supporting Metal on N2 Activation

scientific article published on 01 July 2015

Bridging Zirconia Nodes within a Metal-Organic Framework via Catalytic Ni-Hydroxo Clusters to Form Heterobimetallic Nanowires.

scientific article published on 11 July 2017

Can Density Matrix Embedding Theory with the Complete Activate Space Self-Consistent Field Solver Describe Single and Double Bond Breaking in Molecular Systems?

scientific article published on 13 March 2018

Catalytic silylation of dinitrogen with a dicobalt complex

scientific article

Computational Design of Functionalized Metal-Organic Framework Nodes for Catalysis

scientific article published on 21 December 2017

Computational Study of First-Row Transition Metals Supported on MOF NU-1000 for Catalytic Acceptorless Alcohol Dehydrogenation

Computationally Guided Discovery of a Catalytic Cobalt-Decorated Metal–Organic Framework for Ethylene Dimerization

scholarly article by Varinia Bernales et al published 7 October 2016 in Journal of Physical Chemistry C

Computationally-Guided Assignment of Unexpected Signals in the Raman Spectra of Uranyl Triperoxide Complexes

scientific article published on 11 January 2017

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

Density matrix renormalization group pair-density functional theory (DMRG-PDFT): singlet–triplet gaps in polyacenes and polyacetylenes

scientific article published on 26 November 2018

Effect of unsaturation on the absorption of ethane and ethylene in imidazolium-based ionic liquids.

scientific article

Enhanced Fe-Centered Redox Flexibility in Fe-Ti Heterobimetallic Complexes

scientific article published on 08 April 2019

Heterobimetallic Complexes That Bond Vanadium to Iron, Cobalt, and Nickel

scientific article published on 4 December 2015

Installing Heterobimetallic Cobalt–Aluminum Single Sites on a Metal Organic Framework Support

scholarly article by Anthony B. Thompson et al published 2 September 2016 in Chemistry of Materials

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

scientific article

Molecular Rhodium Complexes Supported on the Metal-Oxide-Like Nodes of Metal Organic Frameworks and on Zeolite HY: Catalysts for Ethylene Hydrogenation and Dimerization.

scientific article published on 24 May 2017

Quantum Mechanical Continuum Solvation Models for Ionic Liquids

article

Rhodium catalyzed hydroformylation of olefins

article

Sintering-Resistant Single-Site Nickel Catalyst Supported by Metal-Organic Framework.

scientific article published on 2 February 2016

Structural and Spectroscopic Characterization of Reaction Intermediates Involved in a Dinuclear Co-Hbpp Water Oxidation Catalyst.

scientific article published on 16 November 2016

Structure and dynamics of Zr6O8 metal-organic framework node surfaces probed with ethanol dehydration as a catalytic test reaction.

scientific article published on 20 February 2018

The role of cations in uranyl nanocluster association: a molecular dynamics study

scientific article published on 01 January 2020

Tuning the Surface Chemistry of Metal Organic Framework Nodes: Proton Topology of the Metal-Oxide-Like Zr6 Nodes of UiO-66 and NU-1000.

scientific article published on 28 October 2016

Unprecedented selectivity in molecular recognition of carbohydrates by a metal-organic framework

scientific article

Uranyl Peroxide Cage Cluster Solubility in Water and the Role of the Electrical Double Layer

scientific article published on 11 January 2017

Valence ππ* Excitations in Benzene Studied by Multiconfiguration Pair-Density Functional Theory

scientific article published on 21 December 2018

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