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Journal of Chemical Theory and Computation|May 10, 2016
Systematic Error Estimation for Chemical Reaction EnergiesGregor N Simm, Markus ReiherFaraday Discussions|September 19, 2019
The electrostatic potential as a descriptor for the protonation propensity in automated exploration of reaction mechanismsStephanie A Grimmel, Markus ReiherThe Journal of Chemical Physics|November 17, 2018
Quantum system partitioning at the single-particle levelAdrian H Mühlbach, Markus ReiherJournal of Chemical Information and Modeling|July 23, 2016
Molecular Propensity as a Driver for Explorative Reactivity StudiesAlain C Vaucher, Markus ReiherJournal of Chemical Theory and Computation|April 13, 2018
Minimum Energy Paths and Transition States by Curve OptimizationAlain C Vaucher, Markus ReiherJournal of Computational Chemistry|January 9, 2009
Haptic quantum chemistryKonrad H Marti, Markus ReiherThe Journal of Physical Chemistry. A|March 19, 2020
Semiclassical Dispersion Corrections Efficiently Improve Multiconfigurational Theory with Short-Range Density-Functional Dynamic CorrelationChristopher J Stein, Markus ReiherJournal of Computational Chemistry|June 8, 2019
autoCAS: A Program for Fully Automated Multiconfigurational CalculationsChristopher J Stein, Markus ReiherJournal of Chemical Information and Modeling|July 2, 2020
Molassembler: Molecular Graph Construction, Modification, and Conformer Generation for Inorganic and Organic MoleculesJan-Grimo Sobez, Markus ReiherJournal of Chemical Theory and Computation|August 19, 2016
Polarizable Embedding Density Matrix Renormalization GroupErik D Hedegård, Markus ReiherPageof 26