Reactivity of a rhenium hydroxo-carbonyl complex toward carbon disulfide: insights from theory

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Renewable energy supply and energy storage in a closed materials cycle are the urgent global challenges of the 21st century. Carbon dioxide (CO2) hydrogenation over catalysts is a method to produce synthetic fuels from renewable energy in a CO2 neutral cyc ...

Metal-organic frameworks (MOFs) have firmly established in the field of porous materials since their early discovery in the 1990s. With a plethora of applications, these materials offer endless possibilities owing to their tunable, modular nature. The vast ...

Electrocatalysts play an important part on the route towards environmental friendly energy sources. They support modern technologies like fuel cells to move further away from the utilization of fossil fuels and the resulting CO2 emission into our atmospher ...

We report on bimetallic FeRh clusters with a narrow size-distribution grown on graphene on Ir(111) as a carbon-supported model catalyst to promote low-temperature catalytic CO oxidation. By combining scanning tunneling microscopy with catalytic performance ...

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Methane (CH4) has the prospective of becoming one of the major energy carriers for heavy-duty mobility, but its catalytic abatement remains a challenge. CH4 abatement reaction pathways were analyzed using targeted periodic lean/rich oscillations, which res ...

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The thesis describes a simple approach for N-formylation of amines with CO2 and hydrosilane reducing agents, the use of organic salts as N-formylation catalysts, their physical properties required for high catalytic activity and their role in the catalytic ...

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Reactivity of a rhenium hydroxo-carbonyl complex toward carbon disulfide: insights from theory

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Mechanisms of the Heterogeneously Catalyzed Reaction of CO2 Hydrogenation on Transition Metal Surfaces

Development of metal-organic frameworks based on N-heterocyclic ligands

Molecular Engineering of Electrode Surfaces for Electrocatalysis

Highly Ordered and Thermally Stable FeRh Cluster Superlattice on Graphene for Low-Temperature Catalytic CO Oxidation

Catalytic Enantioselective Transformations with Chiral Cyclopentadienyl Ruthenium(II) Complexes

A polymeric ionic liquid catalyst for the N-formylation and N-methylation of amines using CO2/PhSiH3

Experimental and modeling-based analysis of reaction pathways on catalysts for natural gas engines under periodic lean/rich oscillations

Catalytic Enantioselective Functionalizations of C-H Bonds by Chiral Iridium Complexes

Organic Chemistry and Synthesis Rely More and More upon Catalysts

Aging of industrial Fe-zeolite based catalysts for nitrous oxide abatement in nitric acid production plants

Palladium Catalysed Intramolecular Carbo-oxygenation of Propargylic Amines to Access 1,2-Amino Alcohols and alpha-Amino Ketones via in situ Tether Formation

Colloidal copper-based nanocrystals: synthesis and mechanistic studies

Organocatalysts in C-N Bond Forming Reactions of Amines with CO2

Crystal Structures of AlCr2 and MoSi2: Same Structure Type vs. Different Bonding Pattern

Atomic-Step Enriched Ruthenium-Iridium Nanocrystals Anchored Homogeneously on MOF-Derived Support for Efficient and Stable Oxygen Evolution in Acidic and Neutral Media

Gas-Phase Ozone Reactions with a Structurally Diverse Set of Molecules: Barrier Heights and Reaction Energies Evaluated by Coupled Cluster and Density Functional Theory Calculations

Micropollutant Oxidation Studied by Quantum Chemical Computations: Methodology and Applications to Thermodynamics, Kinetics, and Reaction Mechanisms

New Vinylation and Alkynylation Strategies with Hypervalent Iodine Reagents and Diazo Compounds

Activity-Based Screening of Homogeneous Catalysts through the Rapid Assessment of Theoretically Derived Turnover Frequencies

Aqueous-phase reactive species formed by fine particulate matter from remote forests and polluted urban air