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Markus Reiher

Showing results (161-170 of 270) with videos related to

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Journal 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 Reiher
Journal of Chemical Theory and Computation|December 9, 2015
Heuristics-Guided Exploration of Reaction MechanismsMaike Bergeler, Gregor N Simm, Jonny Proppe, et al.
The Journal of Chemical Physics|March 10, 2019
Optimization of highly excited matrix product states with an application to vibrational spectroscopyAlberto Baiardi, Christopher J Stein, Vincenzo Barone, et al.
Journal of the American Chemical Society|July 27, 2023
Multi-Time-Scale Simulation of Complex Reactive Mixtures: How Do Polyoxometalates Form?Enric Petrus, Diego Garay-Ruiz, Markus Reiher, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 26, 2005
The "invisible" 13C NMR chemical shift of the central carbon atom in [(Ph3PAu)6C]2+: a theoretical investigationBoris Le Guennic, Johannes Neugebauer, Markus Reiher, et al.
Chemical Science|September 3, 2020
Hardware efficient quantum algorithms for vibrational structure calculationsPauline J Ollitrault, Alberto Baiardi, Markus Reiher, et al.
The Journal of Chemical Physics|December 2, 2011
Extracting elements of molecular structure from the all-particle wave functionEdit Mátyus, Jürg Hutter, Ulrich Müller-Herold, et al.
Journal of Computational Chemistry|May 2, 2002
Quantum chemical calculation of vibrational spectra of large molecules--Raman and IR spectra for BuckminsterfullereneJohannes Neugebauer, Markus Reiher, Carsten Kind, et al.
The Journal of Physical Chemistry. A|June 15, 2010
Analysis of vibrational Raman optical activity signatures of the (TG)(N) and (GG)(N) conformations of isotactic polypropylene chains in terms of localized modesVincent Liégeois, Christoph R Jacob, Benoît Champagne, et al.
Pageof 27

Showing results (161-170 of 270) with videos related to

Sort By:
Pageof 27
Journal 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 Reiher
Journal of Chemical Theory and Computation|December 9, 2015
Heuristics-Guided Exploration of Reaction MechanismsMaike Bergeler, Gregor N Simm, Jonny Proppe, et al.
The Journal of Chemical Physics|March 10, 2019
Optimization of highly excited matrix product states with an application to vibrational spectroscopyAlberto Baiardi, Christopher J Stein, Vincenzo Barone, et al.
Journal of the American Chemical Society|July 27, 2023
Multi-Time-Scale Simulation of Complex Reactive Mixtures: How Do Polyoxometalates Form?Enric Petrus, Diego Garay-Ruiz, Markus Reiher, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 26, 2005
The "invisible" 13C NMR chemical shift of the central carbon atom in [(Ph3PAu)6C]2+: a theoretical investigationBoris Le Guennic, Johannes Neugebauer, Markus Reiher, et al.
Chemical Science|September 3, 2020
Hardware efficient quantum algorithms for vibrational structure calculationsPauline J Ollitrault, Alberto Baiardi, Markus Reiher, et al.
The Journal of Chemical Physics|December 2, 2011
Extracting elements of molecular structure from the all-particle wave functionEdit Mátyus, Jürg Hutter, Ulrich Müller-Herold, et al.
Journal of Computational Chemistry|May 2, 2002
Quantum chemical calculation of vibrational spectra of large molecules--Raman and IR spectra for BuckminsterfullereneJohannes Neugebauer, Markus Reiher, Carsten Kind, et al.
The Journal of Physical Chemistry. A|June 15, 2010
Analysis of vibrational Raman optical activity signatures of the (TG)(N) and (GG)(N) conformations of isotactic polypropylene chains in terms of localized modesVincent Liégeois, Christoph R Jacob, Benoît Champagne, et al.
Pageof 27