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Journal of Chemical Theory and Computation|January 18, 2020
Self-Parametrizing System-Focused Atomistic ModelsChristoph Brunken, Markus ReiherJournal of Chemical Theory and Computation|May 12, 2021
Automated Construction of Quantum-Classical Hybrid ModelsChristoph Brunken, Markus ReiherChemistry (Weinheim an Der Bergstrasse, Germany)|January 24, 2022
The Apparently Unreactive Substrate Facilitates the Electron Transfer for Dioxygen Activation in Rieske DioxygenasesKatja-Sophia Csizi, Lina Eckert, Christoph Brunken, 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 Computational Chemistry|January 22, 2004
Vibrational center-ligand couplings in transition metal complexesJohannes Neugebauer, Markus ReiherThe Journal of Chemical Physics|January 7, 2005
Exact decoupling of the Dirac Hamiltonian. II. The generalized Douglas-Kroll-Hess transformation up to arbitrary orderMarkus Reiher, Alexander WolfTopics in Catalysis|February 21, 2022
Autonomous Reaction Network Exploration in Homogeneous and Heterogeneous CatalysisMiguel Steiner, Markus ReiherThe Journal of Physical Chemistry. A|July 3, 2009
Calculated Raman optical activity spectra of 1,6-anhydro-beta-D-glucopyranoseSandra Luber, Markus ReiherJournal of Chemical Theory and Computation|June 6, 2017
Reliable Estimation of Prediction Uncertainty for Physicochemical Property ModelsJonny Proppe, Markus ReiherPageof 25