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Leif C Kröger

Showing results (1-10 of 9) with videos related to

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The Journal of Physical Chemistry. B|March 14, 2017
Prediction of Chain Propagation Rate Constants of Polymerization Reactions in Aqueous NIPAM/BIS and VCL/BIS SystemsLeif C Kröger, Wassja A Kopp, Kai Leonhard
The Journal of Physical Chemistry. A|April 28, 2020
Prediction of Solvation Free Energies of Ionic Solutes in Neutral SolventsLeif C Kröger, Simon Müller, Irina Smirnova, et al.
Journal of Chemical Theory and Computation|July 29, 2017
Assessing Statistical Uncertainties of Rare Events in Reactive Molecular Dynamics SimulationsLeif C Kröger, Wassja A Kopp, Malte Döntgen, et al.
ACS Omega|February 18, 2020
Correcting Rate Constants from Anharmonic Molecular Dynamics for Quantum EffectsFelix Schmalz, Wassja A Kopp, Leif C Kröger, et al.
Journal of Chemical Information and Modeling|June 14, 2018
Automated Chemical Kinetic Modeling via Hybrid Reactive Molecular Dynamics and Quantum Chemistry SimulationsMalte Döntgen, Felix Schmalz, Wassja A Kopp, et al.
Journal of Chemical Theory and Computation|November 18, 2015
Automated discovery of reaction pathways, rate constants, and transition states using reactive molecular dynamics simulationsMalte Döntgen, Marie-Dominique Przybylski-Freund, Leif C Kröger, et al.
Chemistryopen|March 3, 2021
Reaction Mechanisms and Rate Constants of Auto-Catalytic Urethane Formation and Cleavage ReactionsChristoph Gertig, Eric Erdkamp, Andreas Ernst, et al.
The Journal of Chemical Physics|January 8, 2018
The furan microsolvation blind challenge for quantum chemical methods: First stepsHannes C Gottschalk, Anja Poblotzki, Martin A Suhm, et al.
The Journal of Chemical Physics|May 3, 2020
The first microsolvation step for furans: New experiments and benchmarking strategiesHannes C Gottschalk, Anja Poblotzki, Mariyam Fatima, et al.
Pageof 1

Showing results (1-10 of 9) with videos related to

Sort By:
Pageof 1
The Journal of Physical Chemistry. B|March 14, 2017
Prediction of Chain Propagation Rate Constants of Polymerization Reactions in Aqueous NIPAM/BIS and VCL/BIS SystemsLeif C Kröger, Wassja A Kopp, Kai Leonhard
The Journal of Physical Chemistry. A|April 28, 2020
Prediction of Solvation Free Energies of Ionic Solutes in Neutral SolventsLeif C Kröger, Simon Müller, Irina Smirnova, et al.
Journal of Chemical Theory and Computation|July 29, 2017
Assessing Statistical Uncertainties of Rare Events in Reactive Molecular Dynamics SimulationsLeif C Kröger, Wassja A Kopp, Malte Döntgen, et al.
ACS Omega|February 18, 2020
Correcting Rate Constants from Anharmonic Molecular Dynamics for Quantum EffectsFelix Schmalz, Wassja A Kopp, Leif C Kröger, et al.
Journal of Chemical Information and Modeling|June 14, 2018
Automated Chemical Kinetic Modeling via Hybrid Reactive Molecular Dynamics and Quantum Chemistry SimulationsMalte Döntgen, Felix Schmalz, Wassja A Kopp, et al.
Journal of Chemical Theory and Computation|November 18, 2015
Automated discovery of reaction pathways, rate constants, and transition states using reactive molecular dynamics simulationsMalte Döntgen, Marie-Dominique Przybylski-Freund, Leif C Kröger, et al.
Chemistryopen|March 3, 2021
Reaction Mechanisms and Rate Constants of Auto-Catalytic Urethane Formation and Cleavage ReactionsChristoph Gertig, Eric Erdkamp, Andreas Ernst, et al.
The Journal of Chemical Physics|January 8, 2018
The furan microsolvation blind challenge for quantum chemical methods: First stepsHannes C Gottschalk, Anja Poblotzki, Martin A Suhm, et al.
The Journal of Chemical Physics|May 3, 2020
The first microsolvation step for furans: New experiments and benchmarking strategiesHannes C Gottschalk, Anja Poblotzki, Mariyam Fatima, et al.
Pageof 1