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Now showing items 1-10 of 26

Reactivity at surfaces with high-dimensional neural network potentials

Liebetrau, Martin (2023-07-24)

Cobalt-Catalyzed Olefin Hydrogenation

Sang, Sier (2023-08-04)

Vibrational Frequencies of Molecular Systems using High Dimensional Neural Network Potentials

Shanavas Rasheeda, Dilshana (2023-05-08)

Application of Laser Induced Desorption to study Velocity-Resolved Kinetics

Papendorf, Kim (2023-05-04)

Transition Metal- and Electro-Catalyzed C-H and B-H Activation for the Efficient Synthesis of Carborane Derivatives

Jei, Becky Bongsuiru (2023-01-12)

A Fragment-Based Construction of a Neural Network Potential for Metal-Organic Frameworks

Herbold, Marius (2023-02-24)

New Synthetic Analogues for Biological Fe/S Clusters

Hu, Lanxia (2023-03-20)

Method Development for Benchmarking Key Interactions in Quantum Crystallography

Ruth, Paul Niklas (2023-03-23)

Barriers of Protonation Reactions of Organometallics

Rahrt, Rene Kevin (2023-09-20)

Electrochemical Benzylic C−H Fluorination and 4d-Metallaelectro-Catalyzed C−H and C−C Functionalizations

Scheremetjew, Alexej (2023-03-15)

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