Markus Reiher

Department of Chemistry and Applied Bioscience Eidgenössische Technische Hochschule Zürich, Zürich, ZH, Switzerland 
"Markus Reiher"
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Tinzl M, Diedrich JV, Mittl PRE, et al. (2024) Myoglobin-Catalyzed Azide Reduction Proceeds via an Anionic Metal Amide Intermediate. Journal of the American Chemical Society. 146: 1957-1966
Li Manni G, Fdez Galván I, Alavi A, et al. (2023) The OpenMolcas : A Community-Driven Approach to Advancing Computational Chemistry. Journal of Chemical Theory and Computation
Unsleber JP, Liu H, Talirz L, et al. (2023) High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation. The Journal of Chemical Physics. 158: 084803
Bensberg M, Türtscher PL, Unsleber JP, et al. (2022) Solvation Free Energies in Subsystem Density Functional Theory. Journal of Chemical Theory and Computation. 18: 723-740
Ollitrault PJ, Baiardi A, Reiher M, et al. (2020) Hardware efficient quantum algorithms for vibrational structure calculations. Chemical Science. 11: 6842-6855
Wehrli D, Génévriez M, Knecht S, et al. (2020) Complete characterization of the 3p Rydberg complex of a molecular ion: MgAr. I. Observation of the Mg(3p)Ar B state and determination of its structure and dynamics. The Journal of Chemical Physics. 153: 074310
Aquilante F, Autschbach J, Baiardi A, et al. (2020) Modern quantum chemistry with [Open]Molcas. The Journal of Chemical Physics. 152: 214117
Muolo A, Baiardi A, Feldmann R, et al. (2020) Nuclear-electronic all-particle density matrix renormalization group. The Journal of Chemical Physics. 152: 204103
Hedegård ED, Knecht S, Kielberg JS, et al. (2020) Erratum: "Density matrix renormalization group with efficient dynamical electron correlation through range separation" [J. Chem. Phys. 142, 224108 (2015)]. Journal of Chemical Physics. 152: 159901
Stein CJ, Reiher M. (2020) Semiclassical Dispersion Corrections Efficiently Improve Multiconfigurational Theory with Short-Range Density-Functional Dynamic Correlation. The Journal of Physical Chemistry. A
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