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Journal of Chemical Information and Modeling|December 14, 2022
Pathfinder─Navigating and Analyzing Chemical Reaction Networks with an Efficient Graph-Based ApproachPaul L Türtscher, Markus ReiherJournal of Chemical Theory and Computation|May 28, 2025
Automated Microsolvation for Minimum Energy Path Construction in SolutionPaul L Türtscher, Markus ReiherJournal of Computational Chemistry|February 7, 2020
Systematic microsolvation approach with a cluster-continuum scheme and conformational samplingGregor N Simm, Paul L Türtscher, 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.Accounts of Chemical Research|December 17, 2021
Expansive Quantum Mechanical Exploration of Chemical Reaction PathsAlberto Baiardi, Stephanie A Grimmel, Miguel Steiner, et al.The 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.Inorganic Chemistry|December 10, 2002
Theoretical study of the Fe(phen)(2)(NCS)(2) spin-crossover complex with reparametrized density functionalsMarkus ReiherFaraday Discussions|March 3, 2007
On the definition of local spin in relativistic and nonrelativistic quantum chemistryMarkus ReiherJournal of Chemical Theory and Computation|May 12, 2021
Automated Construction of Quantum-Classical Hybrid ModelsChristoph Brunken, Markus ReiherJournal of Computational Chemistry|January 22, 2004
Vibrational center-ligand couplings in transition metal complexesJohannes Neugebauer, Markus ReiherPageof 25