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Markus Reiher

Showing results (211-220 of 270) with videos related to

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Journal of Chemical Theory and Computation|January 5, 2022
Solvation Free Energies in Subsystem Density Functional TheoryMoritz Bensberg, Paul L Türtscher, Jan P Unsleber, et al.
The Journal of Chemical Physics|May 17, 2015
Erratum: "Self-consistent embedding of density-matrix renormalization group wavefunctions in a density functional environment" [J. Chem. Phys. 142, 044111 (2015)]Thomas Dresselhaus, Johannes Neugebauer, Stefan Knecht, et al.
Chemical Science|July 1, 2022
The (not so) simple prediction of enantioselectivity - a pipeline for high-fidelity computationsRubén Laplaza, Jan-Grimo Sobez, Matthew D Wodrich, et al.
The Journal of Physical Chemistry. A|February 3, 2026
Efficient Implementation of the Spin-Free Renormalized Internally-Contracted Multireference Coupled Cluster TheoryKalman Szenes, Riya Kayal, Kantharuban Sivalingam, et al.
Inorganic Chemistry|March 30, 2011
Targeting intermediates of [FeFe]-hydrogenase by CO and CN vibrational signaturesLian Yu, Claudio Greco, Maurizio Bruschi, et al.
Dalton Transactions (Cambridge, England : 2003)|March 10, 2015
A stable phosphanyl phosphaketene and its reactivityZhongshu Li, Xiaodan Chen, Maike Bergeler, et al.
The Journal of Chemical Physics|February 8, 2023
Ultra-fast semi-empirical quantum chemistry for high-throughput computational campaigns with SparrowFrancesco Bosia, Peikun Zheng, Alain Vaucher, et al.
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|September 15, 2004
A theoretical study of spin states in Ni-S4 complexes and models of the [NiFe] hydrogenase active siteMaurizio Bruschi, Luca De Gioia, Giuseppe Zampella, et al.
Environmental Science & Technology|December 3, 2025
Automated Reaction Exploration of Ozonation Processes for Model Olefins in WaterEnric Petrus, Livia A Hunkeler, Markus Reiher, et al.
Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology|December 24, 2003
Fluorescence kinetics of aqueous solutions of tetracycline and its complexes with Mg2+ and Ca2+Siegfried Schneider, Matthias O Schmitt, Georg Brehm, et al.
Pageof 27

Showing results (211-220 of 270) with videos related to

Sort By:
Pageof 27
Journal of Chemical Theory and Computation|January 5, 2022
Solvation Free Energies in Subsystem Density Functional TheoryMoritz Bensberg, Paul L Türtscher, Jan P Unsleber, et al.
The Journal of Chemical Physics|May 17, 2015
Erratum: "Self-consistent embedding of density-matrix renormalization group wavefunctions in a density functional environment" [J. Chem. Phys. 142, 044111 (2015)]Thomas Dresselhaus, Johannes Neugebauer, Stefan Knecht, et al.
Chemical Science|July 1, 2022
The (not so) simple prediction of enantioselectivity - a pipeline for high-fidelity computationsRubén Laplaza, Jan-Grimo Sobez, Matthew D Wodrich, et al.
The Journal of Physical Chemistry. A|February 3, 2026
Efficient Implementation of the Spin-Free Renormalized Internally-Contracted Multireference Coupled Cluster TheoryKalman Szenes, Riya Kayal, Kantharuban Sivalingam, et al.
Inorganic Chemistry|March 30, 2011
Targeting intermediates of [FeFe]-hydrogenase by CO and CN vibrational signaturesLian Yu, Claudio Greco, Maurizio Bruschi, et al.
Dalton Transactions (Cambridge, England : 2003)|March 10, 2015
A stable phosphanyl phosphaketene and its reactivityZhongshu Li, Xiaodan Chen, Maike Bergeler, et al.
The Journal of Chemical Physics|February 8, 2023
Ultra-fast semi-empirical quantum chemistry for high-throughput computational campaigns with SparrowFrancesco Bosia, Peikun Zheng, Alain Vaucher, et al.
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|September 15, 2004
A theoretical study of spin states in Ni-S4 complexes and models of the [NiFe] hydrogenase active siteMaurizio Bruschi, Luca De Gioia, Giuseppe Zampella, et al.
Environmental Science & Technology|December 3, 2025
Automated Reaction Exploration of Ozonation Processes for Model Olefins in WaterEnric Petrus, Livia A Hunkeler, Markus Reiher, et al.
Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology|December 24, 2003
Fluorescence kinetics of aqueous solutions of tetracycline and its complexes with Mg2+ and Ca2+Siegfried Schneider, Matthias O Schmitt, Georg Brehm, et al.
Pageof 27