Showing results (1-10 of 254) with videos related to
Sort By:
Pageof 26
Inorganic Chemistry|January 14, 2009
Ligands for dinitrogen fixation at Schrock-type catalystsStephan Schenk, Markus ReiherChemistry (Weinheim an Der Bergstrasse, Germany)|April 4, 2009
A stable six-coordinate intermediate in ammonia-dinitrogen exchange at Schrock's molybdenum catalystStephan Schenk, Barbara Kirchner, Markus ReiherInorganic Chemistry|March 25, 2008
First-principles investigation of the Schrock mechanism of dinitrogen reduction employing the full HIPTN3N ligandStephan Schenk, Boris Le Guennic, Barbara Kirchner, 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|June 22, 2012
M(O)V(I)P(AC): vibrational spectroscopy with a robust meta-program for massively parallel standard and inverse calculationsThomas Weymuth, Moritz P Haag, Karin Kiewisch, et al.Journal 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 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 ReiherPageof 26