Johannes Kästner

All papers authored by Johannes Kästner

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2023 René Peters

, Johannes Kästner

Use of the N–O Bonds in N-Mesyloxyamides and N-Mesyloxyimides To Gain Access to 5-Alkoxy-3,4-dialkyloxazol-2-ones and 3-Hetero-Substituted Succinimides: A Combined Experimental and Theoretical Study

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Juliane Heitkämper

, Sergio Posada‐Pérez

, Sílvia Escayola

, Miquel Solà

, Johannes Kästner

, Albert Poater

A Non Expected Alternative Ni(0) Species in the Ni‐Catalytic Aldehyde and Alcohol Arylation Reactions Facilitated by a 1,5‐Diaza‐3,7‐diphosphacyclooctane Ligand

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2022 Juliane Heitkämper

, Justin Herrmann, Marvin Titze, Soeren M. Bauch, René Peters

, Johannes Kästner

Asymmetric Hydroboration of Ketones by Cooperative Lewis Acid–Onium Salt Catalysis: A Quantum Chemical and Microkinetic Study to Combine Theory and Experiment

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2020 Marvin Titze, Juliane Heitkämper

, Thorsten Junge, Johannes Kästner

, René Peters

Highly Active Cooperative Lewis Acid – Ammonium Salt Catalyst for the Enantioselective Hydroboration of Ketones

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2019 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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2018 Alexander Denzel

, Johannes Kästner

Gaussian process regression for geometry optimization

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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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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 Sean McConnell

, Johannes Kästner

Instanton rate constant calculations close to and above the crossover temperature

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Jan Meisner

, Johannes Kästner

Erratum: “Reaction rates and kinetic isotope effects of H2 + OH → H2O + H” [J. Chem. Phys. 144, 174303 (2016)]

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Subhendu Roy, Johannes Kästner

Catalytic Mechanism of Salicylate Dioxygenase: QM/MM Simulations Reveal the Origin of Unexpected Regioselectivity of the Ring Cleavage

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Daniel Brodbeck

, Florian Broghammer

, Jan Meisner

, Julian Klepp

, Delphine Garnier

, Wolfgang Frey

, Johannes Kästner

, René Peters

Ein Aluminium-Fluorid-Komplex mit gekoppelter Ammonium-Einheit als außergewöhnlich aktiver kooperativer Katalysator in der asymmetrischen Carboxycyanierung von Aldehyden

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Daniel Brodbeck

, Florian Broghammer

, Jan Meisner

, Julian Klepp

, Delphine Garnier

, Wolfgang Frey

, Johannes Kästner

, René Peters

An Aluminum Fluoride Complex with an Appended Ammonium Salt as an Exceptionally Active Cooperative Catalyst for the Asymmetric Carboxycyanation of Aldehydes

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Sean R. McConnell

, Andreas Löhle, Johannes Kästner

Rate constants from instanton theory via a microcanonical approach

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2015 Subhendu Roy, Johannes Kästner

Synergistic Substrate and Oxygen Activation in Salicylate Dioxygenase Revealed by QM/MM Simulations

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Subhendu Roy, Johannes Kästner

QM/MM-Simulationen ergeben synergetische Substrat- und Sauerstoffaktivierung in Salicylat-Dioxygenase

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2010 Theodorus P. M. Goumans, Johannes Kästner

Tunneln von Wasserstoffatomen kann zur Bildung von H2 im Weltraum beitragen

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All papers authored by Johannes Kästner