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Journal of Chemical Theory and Computation|August 4, 2022
Chemoton 2.0: Autonomous Exploration of Chemical Reaction NetworksJan P Unsleber, Stephanie A Grimmel, Markus ReiherAnnual Review of Physical Chemistry|February 28, 2020
The Exploration of Chemical Reaction NetworksJan P Unsleber, Markus ReiherAccounts of Chemical Research|December 17, 2021
Expansive Quantum Mechanical Exploration of Chemical Reaction PathsAlberto Baiardi, Stephanie A Grimmel, Miguel Steiner, et al.Faraday Discussions|September 19, 2019
The electrostatic potential as a descriptor for the protonation propensity in automated exploration of reaction mechanismsStephanie A Grimmel, Markus ReiherJournal of Chemical Theory and Computation|January 5, 2022
Solvation Free Energies in Subsystem Density Functional TheoryMoritz Bensberg, Paul L Türtscher, Jan P Unsleber, et al.The Journal of Chemical Physics|June 10, 2024
SCINE-Software for chemical interaction networksThomas Weymuth, Jan P Unsleber, Paul L Türtscher, et al.Digital Discovery|June 14, 2023
Quantum chemical data generation as fill-in for reliability enhancement of machine-learning reaction and retrosynthesis planningAlessandra Toniato, Jan P Unsleber, Alain C Vaucher, et al.Journal of Chemical Information and Modeling|May 22, 2023
Accelerating Reaction Network Explorations with Automated Reaction Template Extraction and ApplicationJan P UnsleberThe Journal of Physical Chemistry. A|October 3, 2024
Heron: Visualizing and Controlling Chemical Reaction Explorations and NetworksCharlotte H Müller, Miguel Steiner, Jan P Unsleber, et al.Pageof 25