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The Journal of Physical Chemistry. A|September 25, 2019
Low-Temperature Kinetic Isotope Effects in CH<sub>3</sub>OH + H → CH<sub>2</sub>OH + H<sub>2</sub> Shed Light on the Deuteration of Methanol in SpaceApril M Cooper, Johannes KästnerChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 9, 2014
Averaging techniques for reaction barriers in QM/MM simulationsApril M Cooper, Johannes KästnerThe Journal of Chemical Physics|July 24, 2009
Umbrella integration in two or more reaction coordinatesJohannes KästnerThe Journal of Chemical Physics|July 12, 2012
Umbrella integration with higher-order correction termsJohannes KästnerChemistry (Weinheim an Der Bergstrasse, Germany)|April 24, 2013
Path length determines the tunneling decay of substituted carbenesJohannes KästnerAngewandte Chemie (International Ed. in English)|March 19, 2016
Atom Tunneling in ChemistryJan Meisner, Johannes KästnerChemistry (Weinheim an Der Bergstrasse, Germany)|April 27, 2017
Catalytic Mechanism of Salicylate Dioxygenase: QM/MM Simulations Reveal the Origin of Unexpected Regioselectivity of the Ring CleavageSubhendu Roy, Johannes KästnerJournal of Computational Chemistry|August 24, 2017
Instanton rate constant calculations close to and above the crossover temperatureSean McConnell, Johannes KästnerJournal of Chemical Theory and Computation|August 11, 2021
Geometry Optimization in Internal Coordinates Based on Gaussian Process Regression: Comparison of Two ApproachesDaniel Born, Johannes KästnerPhysical Chemistry Chemical Physics : PCCP|March 31, 2020
Adsorption of H<sub>2</sub> on amorphous solid water studied with molecular dynamics simulationsGermán Molpeceres, Johannes KästnerPageof 12