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Journal 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 ReiherChimia|April 28, 2017
Error Assessment of Computational Models in ChemistryGregor N Simm, Jonny Proppe, Markus ReiherChemistry (Weinheim an Der Bergstrasse, Germany)|October 10, 2013
Local spin analysis and chemical bondingEloy Ramos-Cordoba, Pedro Salvador, Markus ReiherChempluschem|January 29, 2020
Structure-Property Relationships of Fe4 S4 ClustersMaike Bergeler, Martin T Stiebritz, Markus ReiherJournal of Computational Chemistry|February 26, 2017
Stabilization of activated fragments by shell-wise construction of an embedding environmentFlorian Krausbeck, Jan-Grimo Sobez, Markus ReiherPageof 26