Search filters

List of works by Jan Meisner

A Quadratically-Converging Nudged Elastic Band Optimizer

scientific article published on 22 July 2013

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

scientific article published in March 2017

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

scientific article published on 02 January 2019

Asymmetric Ketone Reduction by Imine Reductases

scientific article published on 2 December 2016

Atom Tunneling in Chemistry

scientific article published on 16 March 2016

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

Atom tunnelling in the reaction NH3+ + H2 → NH4+ + H and its astrochemical relevance.

scientific article published on 29 September 2016

Comparison of classical reaction paths and tunneling paths studied with the semiclassical instanton theory

scientific article

Computational Discovery of the Origins of Life

scientific article published on 17 September 2019

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

scientific article published on 17 November 2017

Dual-Level Approach to Instanton Theory

scientific article published on 23 March 2018

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

article published in 2017

Electronic Control of Initial Nuclear Dynamics Adjacent to a Conical Intersection

scientific article published on 18 December 2014

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

scientific article

Geometric Rotation of the Nuclear Gradient at a Conical Intersection: Extension to Complex Rotation of Diabatic States

scientific article published in July 2015

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

scientific article

Kinetic isotope effects calculated with the instanton method

scientific article published on 07 September 2011

Leveraging mechanochemistry for sustainable polymer degradation

scientific article published in 2024

Reaction rates and kinetic isotope effects of H2 + OH → H2O + H.

scientific article published in May 2016

Support for a Dioxyallyl Cation in the Mechanism Leading to (-)-Levoglucosenone.

scientific article published on 24 October 2017

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

scientific article published on 15 February 2018

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

scientific article published on 01 February 2019