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CO2‐to‐Methanol Hydrogenation on Zirconia‐Supported Copper Nanoparticles: Reaction Intermediates and the Role of the Metal–Support Interface

Angewandte Chemie International Edition, 2017-02, Vol.56 (9), p.2318-2323

International ed. in English, 2017

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CO2 Hydrogenation on Cu/Al2O3: Role of the Metal/Support Interface in Driving Activity and Selectivity of a Bifunctional Catalyst

Angewandte Chemie International Edition, 2019-09, Vol.58 (39), p.13989-13996

International ed. in English, 2019

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Exploiting two-dimensional morphology of molybdenum oxycarbide to enable efficient catalytic dry reforming of methane

Nature communications, 2020-10, Vol.11 (1), p.4920-4920, Article 4920

2020

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Taming Radical Intermediates for the Construction of Enantioenriched Trifluoromethylated Quaternary Carbon Centers

Angewandte Chemie International Edition, 2019-01, Vol.58 (5), p.1447-1452

International ed. in English, 2019

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Design of an Accurate Machine Learning Algorithm to Predict the Binding Energies of Several Adsorbates on Multiple Sites of Metal Surfaces

ChemCatChem, 2020-09, Vol.12 (18), p.4611-4617

2020

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How Important Is Backbonding in Metal Complexes Containing N-Heterocyclic Carbenes? Structural and NBO Analysis

European Journal of Inorganic Chemistry, 2011-11, Vol.2011 (32), p.5025-5035

2011

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Hydrogenolysis of Polysilanes Catalyzed by Low‐Valent Nickel Complexes

Angewandte Chemie International Edition, 2020-09, Vol.59 (36), p.15603-15609

International ed. in English, 2020

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Dynamic PdII/CuI Multimetallic Assemblies as Molecular Models to Study Metal–Metal Cooperation in Sonogashira Coupling

Chemistry : a European journal, 2020-09, Vol.26 (53), p.12168-12179

2020

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Carbon–Carbon Bond Formation by Activation of CH3F on Alumina

Journal of physical chemistry. C, 2015-04, Vol.119 (13), p.7156-7163

2015

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Contrasting the Role of Ni/Al2O3 Interfaces in Water–Gas Shift and Dry Reforming of Methane

Journal of the American Chemical Society, 2017-11, Vol.139 (47), p.17128-17139

2017

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Cooperativity and Dynamics Increase the Performance of NiFe Dry Reforming Catalysts

Journal of the American Chemical Society, 2017-02, Vol.139 (5), p.1937-1949

2017

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Surface Organometallic and Coordination Chemistry toward Single-Site Heterogeneous Catalysts: Strategies, Methods, Structures, and Activities

Chemical reviews, 2016-01, Vol.116 (2), p.323-421

2016

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Increased Back-Bonding Explains Step-Edge Reactivity and Particle Size Effect for CO Activation on Ru Nanoparticles

Journal of the American Chemical Society, 2016-12, Vol.138 (51), p.16655-16668

2016

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Hydrogenolysis of Polysilanes Catalyzed by Low‐Valent Nickel Complexes

Angewandte Chemie, 2020-09, Vol.132 (36), p.15733-15739

2020

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NMR Signatures of the Active Sites in Sn-β Zeolite

Angewandte Chemie (International ed.), 2014-09, Vol.53 (38), p.10179-10183

2014

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Dynamic Pd II /Cu I Multimetallic Assemblies as Molecular Models to Study Metal–Metal Cooperation in Sonogashira Coupling

Chemistry : a European journal, 2020-09, Vol.26 (53), p.12168-12179

2020

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Heterolytic Activation of C–H Bonds on CrIII–O Surface Sites Is a Key Step in Catalytic Polymerization of Ethylene and Dehydrogenation of Propane

Inorganic chemistry, 2015-06, Vol.54 (11), p.5065-5078

2015

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A Computational Study of the Olefin Epoxidation Mechanism Catalyzed by Cyclopentadienyloxidomolybdenum(VI) Complexes

Chemistry : a European journal, 2010-02, Vol.16 (7), p.2147-2158

2010

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Proton transfers are key elementary steps in ethylene polymerization on isolated chromium(III) silicates

Proceedings of the National Academy of Sciences - PNAS, 2014-08, Vol.111 (32), p.11624-11629

2014

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Facile Fischer–Tropsch Chain Growth from CH2 Monomers Enabled by the Dynamic CO Adlayer

ACS catalysis, 2019-07, Vol.9 (7), p.6571-6582

2019

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Molecular Structure and Confining Environment of Sn Sites in Single-Site Chabazite Zeolites

Chemistry of materials, 2017-10, Vol.29 (20), p.8824-8837

2017

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Decisive Role of Perimeter Sites in Silica-Supported Ag Nanoparticles in Selective Hydrogenation of CO2 to Methyl Formate in the Presence of Methanol

Journal of the American Chemical Society, 2018-10, Vol.140 (42), p.13884-13891

2018

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Theoretical study of the catalytic performance of Fe and Cu single-atom catalysts supported on Mo2C toward the reverse water–gas shift reaction

Frontiers in chemistry, 2023-03, Vol.11, p.1144189-1144189

2023

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CO 2 Hydrogenation on Cu/Al 2 O 3 : Role of the Metal/Support Interface in Driving Activity and Selectivity of a Bifunctional Catalyst

Angewandte Chemie International Edition, 2019-09, Vol.58 (39), p.13989-13996

2019

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Role of Water, CO2, and Noninnocent Ligands in the CO2 Hydrogenation to Formate by an Ir(III) PNP Pincer Catalyst Evaluated by Static-DFT and ab Initio Molecular Dynamics under Reaction Conditions

Organometallics, 2017-12, Vol.36 (24), p.4908-4919

2017

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CO2‐to‐Methanol Hydrogenation on Zirconia‐Supported Copper Nanoparticles: Reaction Intermediates and the Role of the Metal–Support Interface

CO2 Hydrogenation on Cu/Al2O3: Role of the Metal/Support Interface in Driving Activity and Selectivity of a Bifunctional Catalyst

Exploiting two-dimensional morphology of molybdenum oxycarbide to enable efficient catalytic dry reforming of methane

Taming Radical Intermediates for the Construction of Enantioenriched Trifluoromethylated Quaternary Carbon Centers

Design of an Accurate Machine Learning Algorithm to Predict the Binding Energies of Several Adsorbates on Multiple Sites of Metal Surfaces

How Important Is Backbonding in Metal Complexes Containing N-Heterocyclic Carbenes? Structural and NBO Analysis

Hydrogenolysis of Polysilanes Catalyzed by Low‐Valent Nickel Complexes

Dynamic PdII/CuI Multimetallic Assemblies as Molecular Models to Study Metal–Metal Cooperation in Sonogashira Coupling

Carbon–Carbon Bond Formation by Activation of CH3F on Alumina

Contrasting the Role of Ni/Al2O3 Interfaces in Water–Gas Shift and Dry Reforming of Methane

Cooperativity and Dynamics Increase the Performance of NiFe Dry Reforming Catalysts

Surface Organometallic and Coordination Chemistry toward Single-Site Heterogeneous Catalysts: Strategies, Methods, Structures, and Activities

Increased Back-Bonding Explains Step-Edge Reactivity and Particle Size Effect for CO Activation on Ru Nanoparticles

Hydrogenolysis of Polysilanes Catalyzed by Low‐Valent Nickel Complexes

NMR Signatures of the Active Sites in Sn-β Zeolite

Dynamic Pd II /Cu I Multimetallic Assemblies as Molecular Models to Study Metal–Metal Cooperation in Sonogashira Coupling

Heterolytic Activation of C–H Bonds on CrIII–O Surface Sites Is a Key Step in Catalytic Polymerization of Ethylene and Dehydrogenation of Propane

A Computational Study of the Olefin Epoxidation Mechanism Catalyzed by Cyclopentadienyloxidomolybdenum(VI) Complexes

Proton transfers are key elementary steps in ethylene polymerization on isolated chromium(III) silicates

Facile Fischer–Tropsch Chain Growth from CH2 Monomers Enabled by the Dynamic CO Adlayer

Molecular Structure and Confining Environment of Sn Sites in Single-Site Chabazite Zeolites

Decisive Role of Perimeter Sites in Silica-Supported Ag Nanoparticles in Selective Hydrogenation of CO2 to Methyl Formate in the Presence of Methanol

Theoretical study of the catalytic performance of Fe and Cu single-atom catalysts supported on Mo2C toward the reverse water–gas shift reaction

CO 2 Hydrogenation on Cu/Al 2 O 3 : Role of the Metal/Support Interface in Driving Activity and Selectivity of a Bifunctional Catalyst

Role of Water, CO2, and Noninnocent Ligands in the CO2 Hydrogenation to Formate by an Ir(III) PNP Pincer Catalyst Evaluated by Static-DFT and ab Initio Molecular Dynamics under Reaction Conditions

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