Leif C Kröger (Leif Kröger)

Publication Activity (10 Years)

Years Active: 2017-2021
Publications (10 Years): 8

Top Topics

Virtual Reality

Electron Transfer

Molecular Dynamics

Top Venues

The Journal of chemical physics

Journal of chemical theory and computation

The journal of physical chemistry. B

Journal of chemical information and modeling

This page only lists publications with an associated author ORCID identifier.

Publications

Christoph Gertig, Eric Erdkamp, Andreas Ernst, Carl Hemprich, Leif C Kröger, Jens Langanke, Andre Bardow, Kai Leonhard
Reaction Mechanisms and Rate Constants of Auto-Catalytic Urethane Formation and Cleavage Reactions. ChemistryOpen 10 (5) (2021)
Leif C Kröger, Simon Müller, Irina Smirnova, Kai Leonhard
Prediction of Solvation Free Energies of Ionic Solutes in Neutral Solvents. The journal of physical chemistry. A 124 (20) (2020)
Hannes C Gottschalk, Anja Poblotzki, Mariyam Fatima, Daniel A Obenchain, Cristóbal Pérez, Jens Antony, Alexander A Auer, Leonardo Baptista, David M Benoit, Giovanni Bistoni, Fabian Bohle, Rahma Dahmani, Dzmitry Firaha, Stefan Grimme, Andreas Hansen, Michael E Harding, Majdi Hochlaf, Christof Holzer, Georg Jansen, Willem Klopper, Wassja A Kopp, Małgorzata Krasowska, Leif C Kröger, Kai Leonhard, Muneerah Mogren Al-Mogren, Halima Mouhib, Frank Neese, Max N Pereira, Muthuramalingam Prakash, Inga S Ulusoy, Ricardo A Mata, Martin A Suhm, Melanie Schnell
The first microsolvation step for furans: New experiments and benchmarking strategies. The Journal of chemical physics 152 (16) (2020)
Hannes C Gottschalk, Anja Poblotzki, Martin A Suhm, Muneerah M Al-Mogren, Jens Antony, Alexander A Auer, Leonardo Baptista, David M Benoit, Giovanni Bistoni, Fabian Bohle, Rahma Dahmani, Dzmitry Firaha, Stefan Grimme, Andreas Hansen, Michael E Harding, Majdi Hochlaf, Christof Holzer, Georg Jansen, Willem Klopper, Wassja A Kopp, Leif C Kröger, Kai Leonhard, Halima Mouhib, Frank Neese, Max N Pereira, Inga S Ulusoy, Axel Wuttke, Ricardo A Mata
The furan microsolvation blind challenge for quantum chemical methods: First steps. The Journal of chemical physics 148 (1) (2018)
K Alexander Heufer, Felix Schmalz, Wassja A Kopp, Leif C Kröger, Kai Leonhard
Automated Chemical Kinetic Modeling via Hybrid Reactive Molecular Dynamics and Quantum Chemistry Simulations. Journal of chemical information and modeling 58 (7) (2018)
Leif C Kröger, Wassja A Kopp, Kai Leonhard
Prediction of Chain Propagation Rate Constants of Polymerization Reactions in Aqueous NIPAM/BIS and VCL/BIS Systems. The journal of physical chemistry. B 121 (13) (2017)
Michael Schappals, Andreas Mecklenfeld, Leif C Kröger, Vitalie Botan, Andreas Köster, Simon Stephan, Edder J García, Gabor Rutkai, Gabriele Raabe, Peter Klein, Kai Leonhard, Colin W Glass, Johannes Lenhard, Jadran Vrabec, Hans Hasse
Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom. Journal of chemical theory and computation 13 (9) (2017)
Leif C Kröger, Wassja A Kopp, K Alexander Heufer, Kai Leonhard
Assessing Statistical Uncertainties of Rare Events in Reactive Molecular Dynamics Simulations. Journal of chemical theory and computation 13 (9) (2017)