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5 results in Authors: Joachim Gross

Theoretical and Computational Chemistry

Efficient Generation of Torsional Energy Profiles by Multifidelity Gaussian Processes for Hindered-Rotor Corrections

Maximilian Fleck, Wassja A. Kopp, Narasimhan Viswanathan, Niels Hansen, Joachim Gross, Kai Leonhard

Version 1 posted 19 March 2024

94

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Biological and Medicinal Chemistry

Structure elucidation, biosynthesis, total synthesis and antibacterial in-vivo efficacy of myxobacterial Corramycin

Cédric Couturier, Sebastian Groß, Alexander von Tesmar, Judith Hoffmann, Selina Deckarm, Anouchka Fievet, Nelly Dubarry, Thomas Taillier, Christoph Pöverlein, Heike Stump, Michael Kurz, Luigi Toti, Sabine Haag Richter, Dietmar Schummer, Philippe Sizun, Michael Hoffmann, Ram Prasad Awal, Nestor Zaburannyi, Kirsten Harmrolfs, Joachim Wink, Emilie Lessoud, Thierry Vermat, Veronique Cazals, Sandra Silve, Armin Bauer, Michael Mourez, Laurent Fraisse, Corinne Leroi-Geissler, Astrid Rey, Stéphanie Versluys, Eric Bacqué, Rolf Müller, Stephane Renard

Version 1 posted 20 July 2022

868

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Theoretical and Computational Chemistry

A combined XPS and computational study of the chemical reduction of BMP-TFSI by lithium

Katrin Forster-Tonigold, Florian Buchner, Joachim Bansmann, R. Jürgen Behm, Axel Gross

Version 1 posted 04 July 2022

270

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Materials Chemistry

Self-Diffusion of Acetonitrile in a Covalent Organic Framework: Simulation and Experiment

Lars Grunenberg, Christopher Keßler, Tiong Wei Teh, Robin Schuldt, Fabian Heck, Johannes Kästner, Joachim Groß, Niels Hansen, Bettina V. Lotsch

Version 1 posted 10 April 2024

195

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Physical Chemistry

Integrating Entropy Scaling into a Deep Neural Network Architecture to Predict Viscosities

Maximilian Fleck, Joachim Gross, Niels Hansen

Version 1 posted 23 April 2024

85

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