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Coen de Graaf

University of Barcelona

140

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Insights from Adsorption and Electron Modification Studies of Polyoxometalates on Surfaces for Molecular Memory Applications.

2021 Accounts of Chemical Research
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Gating the conductance of extended metal atom chains: a computational analysis of Ru3(dpa)4(NCS)2 and [Ru3(npa)4(NCS)2]

2021 Physical Chemistry Chemical Physics
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Photoreduction Mechanism of CO2 to CO Catalyzed by a Three-Component Hybrid Construct with a Bimetallic Rhenium Catalyst

2021 ACS Catalysis
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Molecular Transition Metal Oxide Electrocatalysts for the Reversible Carbon Dioxide-Carbon Monoxide Transformation.

2021 Angewandte Chemie
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Switchable Rashba Anisotropy in Two-dimensional Hybrid Organic-Inorganic Perovskite by Hybrid Improper Ferroelectricity.

2021 arXiv: Materials Science
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Influence of the crystal packing in singlet fission: one step beyond the gas phase approximation.

2021 Physical Chemistry Chemical Physics
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Density functional theory study of single-molecule ferroelectricity in Preyssler-type polyoxometalates

2021 APL Materials
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Switchable Rashba anisotropy in a layered hybrid organic–inorganic perovskite via hybrid improper ferroelectricity

2021 Acta Crystallographica Section A
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U2N@Ih(7)-C80: fullerene cage encapsulating an unsymmetrical U(iv)NU(v) cluster

2020 Chemical Science
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A reduced common molecular orbital basis for non-orthogonal configuration interaction.

2020 Journal of Chemical Theory and Computation
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