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Inorganic Chemistry|October 28, 2014
Activation barriers of oxygen transformation at the active site of [FeFe] hydrogenasesArndt R Finkelmann, Martin T Stiebritz, Markus ReiherThe Journal of Physical Chemistry. A|January 31, 2008
Nuclear quadrupole moment of 119SnGiampaolo Barone, Remigius Mastalerz, Markus Reiher, et al.Journal of Chemical Theory and Computation|January 18, 2017
Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization GroupLeon Freitag, Stefan Knecht, Celestino Angeli, et al.Journal of the American Chemical Society|November 24, 2011
Regioselectivity of H cluster oxidationMarta K Bruska, Martin T Stiebritz, Markus ReiherThe Journal of Chemical Physics|May 17, 2013
An efficient implementation of two-component relativistic exact-decoupling methods for large moleculesDaoling Peng, Nils Middendorf, Florian Weigend, et al.The Journal of Physical Chemistry. B|April 9, 2013
Kinetic modeling of hydrogen conversion at [Fe] hydrogenase active-site modelsArndt R Finkelmann, Martin T Stiebritz, Markus ReiherJournal of Chemical Theory and Computation|May 10, 2017
Second-Order Self-Consistent-Field Density-Matrix Renormalization GroupYingjin Ma, Stefan Knecht, Sebastian Keller, et al.Chemical Science|September 7, 2021
Correction: Hydrogen-activation mechanism of [Fe] hydrogenase revealed by multi-scale modelingArndt Robert Finkelmann, Hans Martin Senn, Markus ReiherJournal of the American Chemical Society|June 27, 2017
Redox Activity of Oxo-Bridged Iridium Dimers in an N,O-Donor Environment: Characterization of Remarkably Stable Ir(IV,V) ComplexesShashi Bhushan Sinha, Dimitar Y Shopov, Liam S Sharninghausen, et al.The Journal of Chemical Physics|March 1, 2023
High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validationJan P Unsleber, Hongbin Liu, Leopold Talirz, et al.Pageof 27