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Catalytic NH3 Synthesis using N2/H2 at Molecular Transition Metal Complexes: Concepts for Lead Structure Determination using Computational Chemistry

Chemistry : a European journal, 2017-09, Vol.23 (50), p.11992-12003

2017

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Hydrogenation of CO2 to Formic Acid with a Highly Active Ruthenium Acriphos Complex in DMSO and DMSO/Water

Angewandte Chemie International Edition, 2016-07, Vol.55 (31), p.8966-8969

International ed. in English, 2016

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Hydrogenation of carbon dioxide to methanol using a homogeneous ruthenium-Triphos catalyst: from mechanistic investigations to multiphase catalysis

Chemical science (Cambridge), 2015-01, Vol.6 (1), p.693-704

2015

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Ruthenium Catalyzed Hydroboration of Terminal Alkynes to Z‑Vinylboronates

Journal of the American Chemical Society, 2012-09, Vol.134 (35), p.14349-14352

2012

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Carbon monoxide and hydrogen (syngas) as a C1-building block for selective catalytic methylation

Chemical science (Cambridge), 2020-11, Vol.12 (3), p.976-982

2020

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Highly Versatile Catalytic Hydrogenation of Carboxylic and Carbonic Acid Derivatives using a Ru-Triphos Complex: Molecular Control over Selectivity and Substrate Scope

Journal of the American Chemical Society, 2014-09, Vol.136 (38), p.13217-13225

2014

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Can Contemporary Density Functional Theory Predict Energy Spans in Molecular Catalysis Accurately Enough To Be Applicable for in Silico Catalyst Design? A Computational/Experimental Case Study for the Ruthenium-Catalyzed Hydrogenation of Olefins

Journal of the American Chemical Society, 2016-01, Vol.138 (1), p.433-443

2016

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Frontispiece: Catalytic NH3 Synthesis using N2/H2 at Molecular Transition Metal Complexes: Concepts for Lead Structure Determination using Computational Chemistry

Chemistry : a European journal, 2017-09, Vol.23 (50), p.n/a

2017

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Double Dehydrogenation of Primary Amines to Nitriles by a Ruthenium Complex Featuring Pyrazole Functionality

Journal of the American Chemical Society, 2018-07, Vol.140 (28), p.8662-8666

2018

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Manganese-catalyzed hydroboration of carbon dioxide and other challenging carbonyl groups

Nature communications, 2018-10, Vol.9 (1), p.4521-9, Article 4521

2018

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Heterolytic Outer-Sphere Cleavage of H2 for the Reduction of N2 in the Coordination Sphere of Transition Metals-A DFT Study

Angewandte Chemie International Edition, 2012-08, Vol.51 (33), p.8225-8229

International ed. in English, 2012

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Selective hydrogenation of biomass derived substrates using ionic liquid-stabilized ruthenium nanoparticles

Green chemistry : an international journal and green chemistry resource : GC, 2010-01, Vol.12 (9), p.1634-1639

2010

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Ligand-Controlled Palladium-Catalyzed Decarboxylative Heck Coupling for Regioselective Access to Branched Olefins

ACS catalysis, 2023-08, Vol.13 (15), p.10085-10093

2023

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Low Activation Barriers in N2 Reduction with H2 at Ruthenium Pincer Complexes Induced by Ligand Cooperativity: A Computational Study

European journal of inorganic chemistry, 2014-12, Vol.2014 (35), p.6126-6133

2014

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A Proton-Responsive Annulated Mesoionic Carbene (MIC) Scaffold on Ir Complex for Proton/Hydride Shuttle: An Experimental and Computational Investigation on Reductive Amination of Aldehyde

Organometallics, 2020-11, Vol.39 (21), p.3849-3863

2020

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Solvent-Free Hydrosilylation of Terminal Alkynes by Reaction with a Nonclassical Ruthenium Hydride Pincer Complex

European journal of inorganic chemistry, 2015-01, Vol.2015 (2), p.333-339

2015

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Selective Homogeneous Hydrogenation of Biogenic Carboxylic Acids with [Ru(TriPhos)H]+: A Mechanistic Study

Journal of the American Chemical Society, 2011-09, Vol.133 (36), p.14349-14358

2011

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Analysis of Potential Molecular Catalysts for the Hydroamination of Ethylene with Ammonia: A DFT Study with [Ir(PCP)] and [Ir(PSiP)] Complexes

Chemistry : a European journal, 2013-01, Vol.19 (3), p.1020-1027

2013

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Experimental and Theoretical Mechanistic Investigation on the Catalytic CO2 Hydrogenation to Formate by a Carboxylate-Functionalized Bis(N‑heterocyclic carbene) Zwitterionic Iridium(I) Compound

Organometallics, 2018-03, Vol.37 (5), p.684-696

2018

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CO2 Insertion into Metal-Carbon Bonds: A Computational Study of RhI Pincer Complexes

Chemistry : a European journal, 2011-09, Vol.17 (37), p.10329-10338

2011

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A DFT Study on the Co-polymerization of CO2 and Ethylene: Feasibility Analysis for the Direct Synthesis of Polyethylene Esters

ChemSusChem, 2016-07, Vol.9 (13), p.1614-1622

2016

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Interaction of formaldehyde with a water-tolerant frustrated Lewis pair

Chemical communications (Cambridge, England), 2017-03, Vol.53 (22), p.3205-3208

2017

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Reduction of Metal Coordinated N2 to NH3 with H2 by Heterolytic Hydrogen Cleavage induced by External Lewis Bases - a DFT Study

Zeitschrift für anorganische und allgemeine Chemie (1950), 2015-01, Vol.641 (1), p.72-77

2015

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Reversible Insertion of Carbon Dioxide at Phosphine Sulfonamido PdII–Aryl Complexes

Organometallics, 2020-12, Vol.39 (24), p.4465-4473

2020

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Low Activation Barriers in N sub(2) Reduction with H sub(2) at Ruthenium Pincer Complexes Induced by Ligand Cooperativity: A Computational Study

European journal of inorganic chemistry, 2014-12, Vol.2014 (35), p.6126-6133

2014

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Catalytic NH3 Synthesis using N2/H2 at Molecular Transition Metal Complexes: Concepts for Lead Structure Determination using Computational Chemistry

Hydrogenation of CO2 to Formic Acid with a Highly Active Ruthenium Acriphos Complex in DMSO and DMSO/Water

Hydrogenation of carbon dioxide to methanol using a homogeneous ruthenium-Triphos catalyst: from mechanistic investigations to multiphase catalysis

Ruthenium Catalyzed Hydroboration of Terminal Alkynes to Z‑Vinylboronates

Carbon monoxide and hydrogen (syngas) as a C1-building block for selective catalytic methylation

Highly Versatile Catalytic Hydrogenation of Carboxylic and Carbonic Acid Derivatives using a Ru-Triphos Complex: Molecular Control over Selectivity and Substrate Scope

Can Contemporary Density Functional Theory Predict Energy Spans in Molecular Catalysis Accurately Enough To Be Applicable for in Silico Catalyst Design? A Computational/Experimental Case Study for the Ruthenium-Catalyzed Hydrogenation of Olefins

Frontispiece: Catalytic NH3 Synthesis using N2/H2 at Molecular Transition Metal Complexes: Concepts for Lead Structure Determination using Computational Chemistry

Double Dehydrogenation of Primary Amines to Nitriles by a Ruthenium Complex Featuring Pyrazole Functionality

Manganese-catalyzed hydroboration of carbon dioxide and other challenging carbonyl groups

Heterolytic Outer-Sphere Cleavage of H2 for the Reduction of N2 in the Coordination Sphere of Transition Metals-A DFT Study

Selective hydrogenation of biomass derived substrates using ionic liquid-stabilized ruthenium nanoparticles

Ligand-Controlled Palladium-Catalyzed Decarboxylative Heck Coupling for Regioselective Access to Branched Olefins

Low Activation Barriers in N2 Reduction with H2 at Ruthenium Pincer Complexes Induced by Ligand Cooperativity: A Computational Study

A Proton-Responsive Annulated Mesoionic Carbene (MIC) Scaffold on Ir Complex for Proton/Hydride Shuttle: An Experimental and Computational Investigation on Reductive Amination of Aldehyde

Solvent-Free Hydrosilylation of Terminal Alkynes by Reaction with a Nonclassical Ruthenium Hydride Pincer Complex

Selective Homogeneous Hydrogenation of Biogenic Carboxylic Acids with [Ru(TriPhos)H]+: A Mechanistic Study

Analysis of Potential Molecular Catalysts for the Hydroamination of Ethylene with Ammonia: A DFT Study with [Ir(PCP)] and [Ir(PSiP)] Complexes

Experimental and Theoretical Mechanistic Investigation on the Catalytic CO2 Hydrogenation to Formate by a Carboxylate-Functionalized Bis(N‑heterocyclic carbene) Zwitterionic Iridium(I) Compound

CO2 Insertion into Metal-Carbon Bonds: A Computational Study of RhI Pincer Complexes

A DFT Study on the Co-polymerization of CO2 and Ethylene: Feasibility Analysis for the Direct Synthesis of Polyethylene Esters

Interaction of formaldehyde with a water-tolerant frustrated Lewis pair

Reduction of Metal Coordinated N2 to NH3 with H2 by Heterolytic Hydrogen Cleavage induced by External Lewis Bases - a DFT Study

Reversible Insertion of Carbon Dioxide at Phosphine Sulfonamido PdII–Aryl Complexes

Low Activation Barriers in N sub(2) Reduction with H sub(2) at Ruthenium Pincer Complexes Induced by Ligand Cooperativity: A Computational Study

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