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Heterogeneous Adsorption and Local Ordering of Formate on a Magnetite Surface

Marcus Creutzburg, Kai Sellschopp, Steffen Tober, Elin Grånäs, Vedran Vonk, Wernfried Mayr-Schmölzer, Stefan Müller, Heshmat Noei, Gregor Vonbun-Feldbauer, Andreas Stierle

Version 1 posted 20 January 2021

373

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1

Citations

Biological and Medicinal Chemistry

Working Paper

Chemical proteomics reveal human off-targets of fluoroquinolone induced mitochondrial toxicity

Till Reinhardt, Nina C. Bach, Alex Rothemann, Adrian T. Jauch, Yassmine El Harraoui, Sigrid Müller-Deubert, Martin F. Köllen, Timo Risch, Lianne H.C. Jacobs, Rolf Müller, Franziska R. Traube, Denitsa Docheva, Stefan Zahler, Jan Riemer, Stephan A. Sieber

Version 2 posted 22 October 2024

221

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Biological and Medicinal Chemistry

Working Paper

Cathepsin-Targeting SARS-CoV-2 Inhibitors: Design, Synthesis, and Biological Activity

Philipp Flury, Julian Breidenbach, Nadine Krüger, Rabea Voget, Laura Schäkel, Yaoyao Si, Vesa Krasniqi, Sara Calistri, Matthias Olfert, Katharina Sylvester, Cheila Rocha, Raphael Ditzinger, Alexander Rasch, Stefan Pöhlmann, Thales Kronenberger, Antti Poso, Katharina Rox, Stefan A. Laufer, Christa E. Müller, Michael Gütschow, Thanigaimalai Pillaiyar

Version 1 posted 07 November 2023

313

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Theoretical and Computational Chemistry

Working Paper

Molecular Simulations with a Pretrained Neural Network and Universal Pairwise Force Fields

Adil Kabylda, J. Thorben Frank, Sergio Suarez Dou, Almaz Khabibrakhmanov, Leonardo Medrano Sandonas, Oliver T. Unke, Stefan Chmiela, Klaus-Robert Muller, Alexandre Tkatchenko

Version 1 posted 08 October 2024

1,593

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Physical Chemistry

Working Paper

Crash Testing Machine Learning Force Fields for Molecules, Materials, and Interfaces: Molecular Dynamics in the TEA Challenge 2023

Igor Poltavsky, Mirela Puleva, Anton Charkin-Gorbulin, Gregory Cordeiro Fonseca, Ilyes Batatia, Nicholas J. Browning, Stefan Chmiela, Mengnan Cui, J. Thorben Frank, Stefan Heinen, Bing Huang, Silvan Käser, Adil Kabylda, Danish Khan, Carolin Müller, Alastair J. A. Price, Kai Riedmiller, Kai Töpfer, Tsz Wai Ko, Markus Meuwly, Matthias Rupp, Gabor Csanyi, O. Anatole von Lilienfeld, Johannes T. Margraf, Klaus-Robert Müller, Alexandre Tkatchenko

Version 1 posted 27 September 2024

358

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Theoretical and Computational Chemistry

Working Paper

Advanced Charge Extended Hückel (CEH) Model and a Consistent Adaptive Minimal Basis Set for the Elements Z=1-103

Marcel Müller, Thomas Froitzheim, Andreas Hansen, Stefan Grimme

Version 1 posted 28 October 2024

205

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Biological and Medicinal Chemistry

Working Paper

Azobenzenes can achieve near-infrared photocontrol in biological systems, with quantitative Z→E photoisomerization, via singlet manifold photoredox

Benedikt Baumgartner, Viktorija Glembockyte, Robert Mayer, Alberto Gonzalez-Hernandez, Robert Kindler, Abha Valavalkar, Alexander Wiegand, Adrian Müller-Deku, Lutz Grubert, Florian Steiner, Christoph Gross, Martin Reynders, Vincent Grenier, Johannes Broichhagen, Stefan Hecht, Philip Tinnefeld, Armin Ofial, Benjamin Dietzek-Ivanšic, Joshua Levitz, Oliver Thorn-Seshold

Version 1 posted 14 September 2023

1,046

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3

Citations

Physical Chemistry

Working Paper

Crash Testing Machine Learning Force Fields for Molecules, Materials, and Interfaces: Model Analysis in the TEA Challenge 2023

Igor Poltavsky, Anton Charkin-Gorbulin, Mirela Puleva, Gregory Cordeiro Fonseca, Ilyes Batatia, Nicholas J. Browning, Stefan Chmiela, Mengnan Cui, J. Thorben Frank, Stefan Heinen, Bing Huang, Silvan Käser, Adil Kabylda, Danish Khan, Carolin Müller, Alastair J. A. Price, Kai Riedmiller, Kai Töpfer, Tsz Wai Ko, Markus Meuwly, Matthias Rupp, Gabor Csanyi, O. Anatole von Lilienfeld, Johannes T. Margraf, Klaus-Robert Müller, Alexandre Tkatchenko

Version 1 posted 27 September 2024

467

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Polymer Science

Working Paper

Amino acid-based polyphosphorodiamidates with hydrolytically labile bonds for degradation-tuned photopolymers

Stephan Haudum, Stefan Lenhart, Stefanie Müller, Disha Tupe, Christoph Naderer, Tilo Dehne, Michael Sittinger, Zoltan Major, Thomas Griesser, Oliver Brüggemann, Jaroslaw Jacak, Ian Teasdale

Version 1 posted 24 March 2023

146

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Catalysis

Working Paper

Covalent functionalization of CdSe quantum dot films with molecular [FeFe] hydrogenase mimics for light-driven hydrogen evolution

Stefan Benndorf, Alexander Schleusener, Riccarda Müller, Mathias Micheel, Raktim Baruah, Jan Dellith, Andreas Undisz, Christof Neumann, Andrey Turchanin, Kerstin Leopold, Wolfgang Weigand, Maria Wächtler

Version 1 posted 15 June 2022

380

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Refine Search

12 results in Stefan Müller in Authors: Stefan Müller

Heterogeneous Adsorption and Local Ordering of Formate on a Magnetite Surface

Chemical proteomics reveal human off-targets of fluoroquinolone induced mitochondrial toxicity

Cathepsin-Targeting SARS-CoV-2 Inhibitors: Design, Synthesis, and Biological Activity

Molecular Simulations with a Pretrained Neural Network and Universal Pairwise Force Fields

Crash Testing Machine Learning Force Fields for Molecules, Materials, and Interfaces: Molecular Dynamics in the TEA Challenge 2023

Advanced Charge Extended Hückel (CEH) Model and a Consistent Adaptive Minimal Basis Set for the Elements Z=1-103

Azobenzenes can achieve near-infrared photocontrol in biological systems, with quantitative Z→E photoisomerization, via singlet manifold photoredox

Crash Testing Machine Learning Force Fields for Molecules, Materials, and Interfaces: Model Analysis in the TEA Challenge 2023

Amino acid-based polyphosphorodiamidates with hydrolytically labile bonds for degradation-tuned photopolymers

Covalent functionalization of CdSe quantum dot films with molecular [FeFe] hydrogenase mimics for light-driven hydrogen evolution

12 results in Authors: Stefan Müller