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Physical Chemistry Chemical Physics : PCCP|January 14, 2011
New electron correlation theories for transition metal chemistryKonrad H Marti, Markus ReiherJournal of Chemical Theory and Computation|February 17, 2017
Steering Orbital Optimization out of Local Minima and Saddle Points Toward Lower EnergyAlain C Vaucher, Markus ReiherChimia|July 2, 2014
Determining factors for the accuracy of DMRG in chemistrySebastian F Keller, Markus ReiherJournal of Chemical Theory and Computation|August 5, 2025
Machine Learning-Enhanced Calculation of Quantum-Classical Binding Free EnergiesMoritz Bensberg, Marco Eckhoff, F Emil Thomasen, et al.Chembiochem : a European Journal of Chemical Biology|May 8, 2023
Quantum Computing for Molecular BiologyAlberto Baiardi, Matthias Christandl, Markus ReiherJournal of Computational Chemistry|June 16, 2015
Mode-tracking based stationary-point optimizationMaike Bergeler, Carmen Herrmann, 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 Computational Chemistry|May 13, 2008
QM/MM vibrational mode trackingCarmen Herrmann, Johannes Neugebauer, Markus ReiherJournal of Chemical Theory and Computation|February 12, 2026
n-Mode Quantized Anharmonic Vibronic Hamiltonians for Matrix Product State DynamicsValentin Barandun, Nina Glaser, Markus ReiherPageof 26