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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 ReiherThe Journal of Chemical Physics|June 10, 2024
SCINE-Software for chemical interaction networksThomas Weymuth, Jan P Unsleber, Paul L Türtscher, et al.Physical Chemistry Chemical Physics : PCCP|January 20, 2023
On the accuracy of orbital based multi-level approaches for closed-shell transition metal chemistryZohreh Amanollahi, Lukas Lampe, Moritz Bensberg, et al.Journal 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 ReiherPageof 26