Johannes Kästner

Papers authored by Johannes Kästner

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2018 Germán Molpeceres, Albert Rimola

, Cecilia Ceccarelli, Johannes Kästner

, Piero Ugliengo

, Belén Maté

Silicate-mediated interstellar water formation: a theoretical study

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Yuki Mitsuta

, Johannes Kästner

, Shusuke Yamanaka, Takashi Kawakami, Mitsutaka Okumura

Free energy reaction root mapping of alanine tripeptide in water

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Andreas Löhle, Johannes Kästner

Calculation of Reaction Rate Constants in the Canonical and Microcanonical Ensemble

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Alexander Denzel, Johannes Kästner

Gaussian Process Regression for Transition State Search

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Max N. Markmeyer, Thanja Lamberts

, Jan Meisner, Johannes Kästner

HOCO formation in astrochemical environments by radical-induced H-abstraction from formic acid

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V. Zaverkin, T. Lamberts

, M. N. Markmeyer, J. Kästner

Tunnelling dominates the reactions of hydrogen atoms with unsaturated alcohols and aldehydes in the dense medium

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S. Álvarez-Barcia, P. Russ, J. Kästner

, T. Lamberts

Hydrogen transfer reactions of interstellar complex organic molecules

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Jan Meisner

, Johannes Kästner

Dual-Level Approach to Instanton Theory

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April M. Cooper

, Philipp P. Hallmen, Johannes Kästner

Potential energy surface interpolation with neural networks for instanton rate calculations

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Alexander Denzel

, Johannes Kästner

Gaussian process regression for geometry optimization

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Jan Meisner, Johannes Karwounopoulos, Patrick Walther, Johannes Kästner

, Stefan Naumann

The Lewis Pair Polymerization of Lactones Using Metal Halides and N-Heterocyclic Olefins: Theoretical Insights

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Sebastián Miranda-Rojas

, Israel Fernández

, Johannes Kästner

, Alejandro Toro-Labbé

, Fernando Mendizábal

Unraveling the Nature of the Catalytic Power of Fluoroacetate Dehalogenase

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2017 Stefan Rieckhoff, Jan Meisner, Johannes Kästner

, Wolfgang Frey, René Peters

Double Regioselective Asymmetric C-Allylation of Isoxazolinones: Iridium-Catalyzed N-Allylation Followed by an Aza-Cope Rearrangement

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Thanja Lamberts

, Johannes Kästner

Tunneling Reaction Kinetics for the Hydrogen Abstraction Reaction H + H2S → H2 + HS in the Interstellar Medium

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Lei Song, Johannes Kästner

Tunneling Rate Constants for H2CO+H on Amorphous Solid Water Surfaces

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Johannes E. M. N. Klein

, Gerald Knizia

, Laura Nunes dos Santos Comprido, Johannes Kästner

, A. Stephen K. Hashmi

C(sp3 )−H Bond Activation by Vinylidene Gold(I) Complexes: A Concerted Asynchronous or Stepwise Process?

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Maximilian Koy, Iris Elser, Jan Meisner, Wolfgang Frey, Klaus Wurst, Johannes Kästner

, Michael R. Buchmeiser

High Oxidation State Molybdenum N -Heterocyclic Carbene Alkylidyne Complexes: Synthesis, Mechanistic Studies, and Reactivity

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Thanja Lamberts

, Johannes Kästner

Influence of Surface and Bulk Water Ice on the Reactivity of a Water-forming Reaction

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Sean McConnell

, Johannes Kästner

Instanton rate constant calculations close to and above the crossover temperature

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Jan Meisner

, Thanja Lamberts, Johannes Kästner

Atom Tunneling in the Water Formation Reaction H2 + OH → H2O + H on an Ice Surface

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Papers authored by Johannes Kästner