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The Journal of Chemical Physics
|
July 24, 2009
Umbrella integration in two or more reaction coordinates
Johannes Kästner
The Journal of Chemical Physics
|
July 12, 2012
Umbrella integration with higher-order correction terms
Johannes Kästner
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 24, 2013
Path length determines the tunneling decay of substituted carbenes
Johannes Kästner
Angewandte Chemie (International Ed. in English)
|
March 19, 2016
Atom Tunneling in Chemistry
Jan Meisner, Johannes Kästner
Chemistry (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 Cleavage
Subhendu Roy, Johannes Kästner
Journal of Computational Chemistry
|
August 24, 2017
Instanton rate constant calculations close to and above the crossover temperature
Sean McConnell, Johannes Kästner
Journal of Chemical Theory and Computation
|
August 11, 2021
Geometry Optimization in Internal Coordinates Based on Gaussian Process Regression: Comparison of Two Approaches
Daniel Born, Johannes Kästner
Physical Chemistry Chemical Physics : PCCP
|
March 31, 2020
Adsorption of H<sub>2</sub> on amorphous solid water studied with molecular dynamics simulations
Germán Molpeceres, Johannes Kästner
Angewandte Chemie (International Ed. in English)
|
November 25, 2015
Synergistic Substrate and Oxygen Activation in Salicylate Dioxygenase Revealed by QM/MM Simulations
Subhendu Roy, Johannes Kästner
Journal of Chemical Theory and Computation
|
October 24, 2018
Calculation of Reaction Rate Constants in the Canonical and Microcanonical Ensemble
Andreas Löhle, Johannes Kästner
Page
of 12
Search research articles
Search
Showing results (1-10 of 115) with videos related to
Sort By:
Page
of 12
The Journal of Chemical Physics
|
July 24, 2009
Umbrella integration in two or more reaction coordinates
Johannes Kästner
The Journal of Chemical Physics
|
July 12, 2012
Umbrella integration with higher-order correction terms
Johannes Kästner
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 24, 2013
Path length determines the tunneling decay of substituted carbenes
Johannes Kästner
Angewandte Chemie (International Ed. in English)
|
March 19, 2016
Atom Tunneling in Chemistry
Jan Meisner, Johannes Kästner
Chemistry (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 Cleavage
Subhendu Roy, Johannes Kästner
Journal of Computational Chemistry
|
August 24, 2017
Instanton rate constant calculations close to and above the crossover temperature
Sean McConnell, Johannes Kästner
Journal of Chemical Theory and Computation
|
August 11, 2021
Geometry Optimization in Internal Coordinates Based on Gaussian Process Regression: Comparison of Two Approaches
Daniel Born, Johannes Kästner
Physical Chemistry Chemical Physics : PCCP
|
March 31, 2020
Adsorption of H<sub>2</sub> on amorphous solid water studied with molecular dynamics simulations
Germán Molpeceres, Johannes Kästner
Angewandte Chemie (International Ed. in English)
|
November 25, 2015
Synergistic Substrate and Oxygen Activation in Salicylate Dioxygenase Revealed by QM/MM Simulations
Subhendu Roy, Johannes Kästner
Journal of Chemical Theory and Computation
|
October 24, 2018
Calculation of Reaction Rate Constants in the Canonical and Microcanonical Ensemble
Andreas Löhle, Johannes Kästner
Page
of 12