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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 ReiherThe Journal of Chemical Physics|November 17, 2018
Explicitly correlated Gaussian functions with shifted-center and projection techniques in pre-Born-Oppenheimer calculationsAndrea Muolo, Edit Mátyus, Markus ReiherThe Journal of Chemical Physics|November 19, 2005
Relativistic DMRG calculations on the curve crossing of cesium hydrideGerrit Moritz, Alexander Wolf, Markus ReiherThe Journal of Chemical Physics|March 3, 2018
Generalized elimination of the global translation from explicitly correlated Gaussian functionsAndrea Muolo, Edit Mátyus, Markus ReiherThe Journal of Physical Chemistry. B|January 29, 2008
Relevance of the electric-dipole--electric-quadrupole contribution to Raman optical activity spectraSandra Luber, Carmen Herrmann, Markus ReiherChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 31, 2006
Can Raman optical activity separate axial from local chirality? A theoretical study of helical deca-alanineCarmen Herrmann, Kenneth Ruud, Markus ReiherPageof 27