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Journal of Computational Chemistry|February 26, 2017
Stabilization of activated fragments by shell-wise construction of an embedding environmentFlorian Krausbeck, Jan-Grimo Sobez, Markus ReiherThe Journal of Chemical Physics|January 11, 2005
Convergence behavior of the density-matrix renormalization group algorithm for optimized orbital orderingsGerrit Moritz, Bernd Artur Hess, Markus ReiherThe Journal of Chemical Physics|July 23, 2004
Correlated ab initio calculations of spectroscopic parameters of SnO within the framework of the higher-order generalized Douglas-Kroll transformationAlexander Wolf, Markus Reiher, Bernd Artur HessThe Journal of Chemical Physics|February 8, 2013
Optimized unrestricted Kohn-Sham potentials from ab initio spin densitiesKatharina Boguslawski, Christoph R Jacob, Markus ReiherChemistry (Weinheim an Der Bergstrasse, Germany)|November 13, 2009
Understanding the signatures of secondary-structure elements in proteins with Raman optical activity spectroscopyChristoph R Jacob, Sandra Luber, Markus ReiherChemistry (Weinheim an Der Bergstrasse, Germany)|November 4, 2005
Nitrogen fixation under mild ambient conditions: part I--the initial dissociation/association step at molybdenum triamidoamine complexesBoris Le Guennic, Barbara Kirchner, Markus ReiherThe Journal of Chemical Physics|March 3, 2005
Comparative analysis of local spin definitionsCarmen Herrmann, Markus Reiher, Bernd A HessNature Communications|June 22, 2024
Nanoscale chemical reaction exploration with a quantum magnifying glassKatja-Sophia Csizi, Miguel Steiner, Markus ReiherACS Central Science|March 14, 2018
The Matter Simulation (R)evolutionAlán Aspuru-Guzik, Roland Lindh, Markus ReiherChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 26, 2011
Identifying protein β-turns with vibrational Raman optical activityThomas Weymuth, Christoph R Jacob, Markus ReiherPageof 26