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Jonny Proppe

5 results in Authors: Jonny Proppe

Theoretical and Computational Chemistry

Learning Conductance: Gaussian Process Regression for Molecular Electronics

Michael Deffner, Marc Philipp Weise, Haitao Zhang, Maike Mücke, Jonny Proppe, Ignacio Franco, Carmen Herrmann

Version 2 posted 22 June 2022

526

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Theoretical and Computational Chemistry

Exchange Spin Coupling from Gaussian Process Regression

Marc Philipp Bahlke, Natnael Mogos, Jonny Proppe, Carmen Herrmann

Version 3 posted 08 July 2020

1,064

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Organic Chemistry

Uncertainty Quantification of Reactivity Scales

Jonny Proppe, Johannes Kircher

Version 2 posted 05 July 2021

411

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2

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Biological and Medicinal Chemistry

Theoretical Studies of the Acid-Base Equilibria in a Model Active Site of the Human 20S Proteasome

Jon Uranga, Lukas Hasecke, Jonny Proppe, Jan Fingerhut, Ricardo A. Mata

Version 1 posted 18 December 2020

669

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Theoretical and Computational Chemistry

Quantitative structure–reactivity relationships for synthesis planning: The benzhydrylium case

Maike Vahl, Johannes V. Diedrich, Maike Mücke, Jonny Proppe

Version 1 posted 27 June 2023

151

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