Johannes Kästner

Papers authored by Johannes Kästner

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2020 V. Zaverkin, J. Kästner

Gaussian Moments as Physically Inspired Molecular Descriptors for Accurate and Scalable Machine Learning Potentials

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Christopher N. Shingledecker

, Germán Molpeceres

, Víctor M. Rivilla

, Liton Majumdar

, Johannes Kästner

Isomers in Interstellar Environments. I. The Case of Z- and E-cyanomethanimine

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Alexander Denzel, Johannes Kästner

Hessian Matrix Update Scheme for Transition State Search Based on Gaussian Process Regression

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D. Qasim

, M. J. A. Witlox, G. Fedoseev, K.-J. Chuang

, T. Banu

, S. A. Krasnokutski

, S. Ioppolo

, J. Kästner

, E. F. van Dishoeck

, H. Linnartz

A cryogenic ice setup to simulate carbon atom reactions in interstellar ices

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J. Enrique-Romero, S. Álvarez-Barcia, F. J. Kolb, A. Rimola

, C. Ceccarelli

, N. Balucani

, J. Meisner, P. Ugliengo

, T. Lamberts

, J. Kästner

Revisiting the reactivity between HCO and CH3 on interstellar grain surfaces

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Christopher N. Shingledecker

, Thanja Lamberts

, Jacob C. Laas

, Anton Vasyunin

, Eric Herbst

, Johannes Kästner

, Paola Caselli

Efficient Production of S8 in Interstellar Ices: The Effects of Cosmic-Ray-driven Radiation Chemistry and Nondiffusive Bulk Reactions

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Germán Molpeceres

, Johannes Kästner

Adsorption of H2 on amorphous solid water studied with molecular dynamics simulations

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2019 Alexander Denzel, Bernard Haasdonk, Johannes Kästner

Gaussian Process Regression for Minimum Energy Path Optimization and Transition State Search

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April M. Cooper, Johannes Kästner

Low-Temperature Kinetic Isotope Effects in CH3OH + H → CH2OH + H2 Shed Light on the Deuteration of Methanol in Space

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J. Meisner

, I. Kamp

, W.-F. Thi, J. Kästner

The role of atom tunneling in gas-phase reactions in planet-forming disks

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Christopher N. Shingledecker

, Sonia Álvarez-Barcia

, Viktoria H. Korn, Johannes Kästner

The Case of H2C3O Isomers, Revisited: Solving the Mystery of the Missing Propadienone

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Danna Qasim

, Gleb Fedoseev, Thanja Lamberts

, Ko-Ju Chuang, Jiao He

, Sergio Ioppolo, Johannes Kästner

, Harold Linnartz

Alcohols on the Rocks: Solid-State Formation in a H3CC≡CH + OH Cocktail under Dark Cloud Conditions

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Thanja Lamberts

, Max N. Markmeyer, Florian J. Kolb, Johannes Kästner

Formation of Acetaldehyde on CO-Rich Ices

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Sonia Álvarez-Barcia, Johannes Kästner

Copper coordination in formylglycine generating enzymes

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Ewa Anna Oprzeska-Zingrebe, Miriam Kohagen, Johannes Kästner

, Jens Smiatek

Unfolding of DNA by co-solutes: insights from Kirkwood–Buff integrals and transfer free energies

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Christian Holm

, Thomas Ertl, Siegfried Schmauder, Johannes Kästner

, Joachim Gross

Particle methods in natural science and engineering

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Jan Meisner

, Philipp P. Hallmen

, Johannes Kästner

, Guntram Rauhut

Vibrational analysis of methyl cation—Rare gas atom complexes: CH3+—Rg (Rg = He, Ne, Ar, Kr)

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Sean R. McConnell

, Johannes Kästner

Instanton rate constant calculations using interpolated potential energy surfaces in nonredundant, rotationally and translationally invariant coordinates

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Robin Schuldt, Johannes Kästner

, Stefan Naumann

Proton Affinities of N-Heterocyclic Olefins and Their Implications for Organocatalyst Design

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Daniel Brodbeck

, Sonia Álvarez-Barcia

, Jan Meisner

, Florian Broghammer, Julian Klepp, Delphine Garnier

, Wolfgang Frey, Johannes Kästner

, René Peters

Asymmetric Carboxycyanation of Aldehydes by Cooperative AlF/Onium Salt Catalysts: from Cyanoformate to KCN as Cyanide Source

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Papers authored by Johannes Kästner