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Journal of Chemical Theory and Computation|April 4, 2018
Statistical Analysis of Semiclassical Dispersion CorrectionsThomas Weymuth, Jonny Proppe, Markus ReiherJournal of Chemical Theory and Computation|December 4, 2018
Mechanism Deduction from Noisy Chemical Reaction NetworksJonny Proppe, Markus ReiherJournal of Chemical Theory and Computation|June 6, 2017
Reliable Estimation of Prediction Uncertainty for Physicochemical Property ModelsJonny Proppe, Markus ReiherJournal of Chemical Theory and Computation|October 12, 2019
Gaussian Process-Based Refinement of Dispersion CorrectionsJonny Proppe, Stefan Gugler, Markus ReiherPhysical Chemistry Chemical Physics : PCCP|June 14, 2022
The transferability limits of static benchmarksThomas Weymuth, Markus ReiherThe Journal of Physical Chemistry. B|September 12, 2013
Characteristic Raman optical activity signatures of protein β-sheetsThomas Weymuth, Markus ReiherChimia|February 27, 2021
Immersive Interactive Quantum Mechanics for Teaching and Learning ChemistryThomas Weymuth, Markus ReiherChimia|April 28, 2017
Error Assessment of Computational Models in ChemistryGregor N Simm, Jonny Proppe, Markus ReiherThe Journal of Physical Chemistry. A|May 26, 2012
How many chiral centers can Raman optical activity spectroscopy distinguish in a molecule?Benjamin Simmen, Thomas Weymuth, Markus ReiherJournal of Chemical Theory and Computation|December 9, 2015
Heuristics-Guided Exploration of Reaction MechanismsMaike Bergeler, Gregor N Simm, Jonny Proppe, et al.Pageof 27