Articles by Rwth Aachen University

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Rwth Aachen University

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Combining low-cost electronic structure theory and low-cost parallel computing architecture

14 December 2023 by Pit Steinbach and Christoph Bannwarth at

Rwth Aachen University

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Dual-Catalysed Intermolecular Reductive Coupling of Dienes and Ketones

6 November 2023 by Victor Mayerhofer and others at

Rwth Aachen University

Organic Chemistry, Catalysis

Photosensitization Enables Pauson-Khand-type Reactions with Nitrenes

31 October 2023 by Fang Li and others at

Rwth Aachen University

Organic Chemistry, Catalysis

Dual-Catalysed Intermolecular Reductive Coupling of Dienes and Ketones

5 October 2023 by Victor Mayerhofer and others at

Rwth Aachen University

Organic Chemistry, Catalysis

Results of a Three-Year Survey on the Implementation of Research Data Management and the Electronic Laboratory Notebook (ELN) Chemotion in an Advanced Inorganic Lab Course

19 September 2023 by Fabian Fink and others at

Rwth Aachen University

Chemical Education

Atroposelective Chan-Evans-Lam Amination

5 September 2023 by Vinzenz Thönnißen and others at

Rwth Aachen University

Organic Chemistry, Catalysis

On the Nonexistence of “InNCN” as an Indium Cyanamide for Industrial-Grade CO2 Electroreduction to Formic Acid

17 August 2023 by Richard Dronskowski at

Rwth Aachen University

Inorganic Chemistry, Main Group Chemistry

Cold and warmth intensify pain-linked sodium channel gating effects and persistent currents

2 August 2023 by S. Kriegeskorte and others at

Rwth Aachen University

Physiology

Bioenergetics of the secondary metabolites production in photosynthetic glandular trichomes

20 June 2023 by N. Saadat and others at

Rwth Aachen University

Plant Biology

Photoinduced cobalt catalysis for the reductive coupling of pyridines and dienes enabled by paired single-electron transfer

29 May 2023 by Jingyang Qin and others at

Rwth Aachen University

Catalysis, Photocatalysis

Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations

29 March 2023 by Bharath Raghavan and others at

Rwth Aachen University

Computational Chemistry and Modeling, Biological and Medicinal Chemistry

Diiminium Nucleophile Adducts are Stable and Convenient Lewis Superacids

31 January 2023 by Niklas Bormann and others at

Rwth Aachen University

Main Group Chemistry, Bonding

NMR in operando Monitoring of Mechanochemically Accelerated Sublimations

3 November 2022 by Carsten Bolm and others at

Rwth Aachen University

Organic Chemistry, Organic Synthesis and Reactions

Photoinduced palladium-catalyzed 1,2-difunctionalization of olefins

22 June 2022 by Hao Fang and others at

Rwth Aachen University

Catalysis, Theoretical and Computational Chemistry

Linearly scaling computation of ddPCM solvation energy and forces using the fast multipole method

20 June 2022 by Aleksandr Mikhalev and others at

Rwth Aachen University

Theory, Theoretical and Computational Chemistry

The Crystal Structure of Carbonic Acid

1 June 2022 by Sebastian Benz and others at

Rwth Aachen University

Inorganic Chemistry, Crystallography – Inorganic

C-H functionalization of heterocycles with triplet carbenes via an unexpected 1,2-alkyl radical migration

2 May 2022 by Claire Empel and others at

Rwth Aachen University

Catalysis, Theoretical and Computational Chemistry

Designing synthetic communities with organism-free modular computational models

24 March 2022 by Anna Matuszyńska and others at

Rwth Aachen University

Theory, Theoretical and Computational Chemistry

Sharing is Caring: Guidelines for Sharing in the Electronic Laboratory Notebook (ELN) Chemotion as applied by a Synthesis-oriented Working Group

17 March 2022 by Fabian Fink and others at

Rwth Aachen University

Chemical Education, Inorganic Chemistry

Intermolecular amination of allenes via twofold photocatalytic nitrene transfer reactions

28 February 2022 by Yujing Guo and others at

Rwth Aachen University

Catalysis, Theoretical and Computational Chemistry

How much technological progress is needed to make solar hydrogen cost-competitive?

27 January 2022 by Jacob Schneidewind at

Rwth Aachen University

Catalysis, Materials Science

Incommensurate phase in Λ-cobalt (III) sepulchrate trinitrate governed by highly competitive N–H···O and C–H···O hydrogen bond networks

23 November 2021 by Somnath Dey and others at

Rwth Aachen University

Crystallography – Organic, Analytical Chemistry

Mechanistic Insights on the Mechanosynthesis of Phenytoin, a WHO Essential Medicine

12 November 2021 by Francesco Puccetti and others at

Rwth Aachen University

Organic Chemistry, Organic Synthesis and Reactions

The Orbital Origins of Chemical Bonding in Phase-Change Materials

29 October 2021 by Jan Hempelmann and others at

Rwth Aachen University

Materials Chemistry

Fabrication of Semi-Transparent SrTaO2N Photoanodes with a GaN Underlayer Grown via Atomic Layer Deposition

12 October 2021 by Can Lu and others at

Rwth Aachen University

Materials Science, Nanostructured Materials

First-Principles Plane-Wave-Based Exploration of Cathode and Anode Materials for Li and Na-ion Batteries involving Complex Nitrogen-based Anions

29 September 2021 by Christina Ertural and others at

Rwth Aachen University

Computational Chemistry and Modeling, Theoretical and Computational Chemistry

Mechanochemical Grignard Reactions with Gaseous CO2 and Sodium Methyl Carbonate

27 August 2021 by Victoria Pfennig and others at

Rwth Aachen University

Organometallic Chemistry, Organic Chemistry

First-Principles Plane-Wave-Based Exploration of Cathode and Anode Materials for Li and Na-ion Batteries

26 July 2021 by Christina Ertural and others at

Rwth Aachen University

Computational Chemistry and Modeling, Theoretical and Computational Chemistry

The Impact of NOx Addition on the Ignition Behavior of N-Pentane

8 February 2021 by Mark Edward Fuller and others at

Rwth Aachen University

Chemical Kinetics, Fuels

Real Space Delocalization, Resonance and Aromaticity

24 November 2020 by Leonard Reuter and Arne Lüchow at

Rwth Aachen University

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Organic Synthesis and Reactions Organic Chemistry Homogeneous Catalysis Theoretical and Computational Chemistry Catalysis Theory Photocatalysis Inorganic Chemistry Computational Chemistry and Modeling Photochemistry Chemical Education Organic Compounds and Functional Groups Solid State Chemistry Materials Chemistry Stereochemistry