Showing results (101-110 of 269) with videos related to
Sort By:
Pageof 27
Journal of Chemical Theory and Computation|March 30, 2018
Calculation of Ligand Dissociation Energies in Large Transition-Metal ComplexesTamara Husch, Leon Freitag, 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 ReiherThe Journal of Chemical Physics|October 24, 2014
Electric transition dipole moment in pre-Born-Oppenheimer molecular structure theoryBenjamin Simmen, Edit Mátyus, Markus ReiherJournal of Chemical Theory and Computation|April 4, 2018
Statistical Analysis of Semiclassical Dispersion CorrectionsThomas Weymuth, Jonny Proppe, Markus ReiherJournal of Chemical Theory and Computation|June 6, 2022
Explicitly Correlated Electronic Structure Calculations with Transcorrelated Matrix Product OperatorsAlberto Baiardi, Michał Lesiuk, Markus ReiherJournal of Chemical Theory and Computation|October 12, 2019
Gaussian Process-Based Refinement of Dispersion CorrectionsJonny Proppe, Stefan Gugler, Markus ReiherJournal of Computational Chemistry|June 10, 2006
Spin states in polynuclear clusters: the [Fe2O2] core of the methane monooxygenase active siteCarmen Herrmann, Lian Yu, Markus ReiherThe Journal of Physical Chemistry. A|December 16, 2016
Calculated Resonance Vibrational Raman Optical Activity Spectra of Naproxen and IbuprofenFlorian Krausbeck, Jochen Autschbach, Markus ReiherThe Journal of Chemical Physics|October 24, 2019
H3 + as a five-body problem described with explicitly correlated Gaussian basis setsAndrea Muolo, Edit Mátyus, Markus ReiherJournal of Chemical Theory and Computation|December 16, 2021
Excited-State DMRG Made Simple with FEASTAlberto Baiardi, Anna Klára Kelemen, Markus ReiherPageof 27