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Morgane Vacher

Showing results (21-30 of 48) with videos related to

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The Journal of Chemical Physics|April 3, 2016
Publisher's Note: "Nuclear spatial delocalization silences electron density oscillations in 2-phenyl-ethyl-amine (PEA) and 2-phenylethyl-N,N-dimethylamine (PENNA) cations" [J. Chem. Phys. 144, 104110 (2016)]Andrew J Jenkins, Morgane Vacher, Michael J Bearpark, et al.
Journal of Chemical Theory and Computation|May 7, 2020
Restricted-Variance Molecular Geometry Optimization Based on Gradient-Enhanced KrigingGerardo Raggi, Ignacio Fdez Galván, Christian L Ritterhoff, et al.
Physical Chemistry Chemical Physics : PCCP|March 1, 2023
ESIPT in the pyrrol pyridine molecule: mechanism, timescale and yield revealed using dynamics simulationsAnthony Ferté, Axel Houssin, Nina Albouy, et al.
Structural Dynamics (Melville, N.Y.)|July 16, 2020
Origin of core-to-core x-ray emission spectroscopy sensitivity to structural dynamicsMorgane Vacher, Kristjan Kunnus, Mickaël G Delcey, et al.
Chemical Science|March 19, 2019
How machine learning can assist the interpretation of <i>ab initio</i> molecular dynamics simulations and conceptual understanding of chemistryFlorian Häse, Ignacio Fdez Galván, Alán Aspuru-Guzik, et al.
Journal of Chemical Theory and Computation|April 25, 2017
Dynamical Insights into the Decomposition of 1,2-DioxetaneMorgane Vacher, Anders Brakestad, Hans O Karlsson, et al.
Journal of Computational Chemistry|April 3, 2019
Efficient calculations of a large number of highly excited states for multiconfigurational wavefunctionsMickael G Delcey, Lasse Kragh Sørensen, Morgane Vacher, et al.
The Journal of Physical Chemistry. A|December 4, 2014
Electronic control of initial nuclear dynamics adjacent to a conical intersectionMorgane Vacher, Jan Meisner, David Mendive-Tapia, et al.
The Journal of Chemical Physics|September 10, 2018
The Ehrenfest method with fully quantum nuclear motion (Qu-Eh): Application to charge migration in radical cationsAndrew J Jenkins, K Eryn Spinlove, Morgane Vacher, et al.
The Journal of Chemical Physics|November 3, 2016
Charge migration in polycyclic norbornadiene cations: Winning the race against decoherenceAndrew J Jenkins, Morgane Vacher, Rebecca M Twidale, et al.
Pageof 5

Showing results (21-30 of 48) with videos related to

Sort By:
Pageof 5
The Journal of Chemical Physics|April 3, 2016
Publisher's Note: "Nuclear spatial delocalization silences electron density oscillations in 2-phenyl-ethyl-amine (PEA) and 2-phenylethyl-N,N-dimethylamine (PENNA) cations" [J. Chem. Phys. 144, 104110 (2016)]Andrew J Jenkins, Morgane Vacher, Michael J Bearpark, et al.
Journal of Chemical Theory and Computation|May 7, 2020
Restricted-Variance Molecular Geometry Optimization Based on Gradient-Enhanced KrigingGerardo Raggi, Ignacio Fdez Galván, Christian L Ritterhoff, et al.
Physical Chemistry Chemical Physics : PCCP|March 1, 2023
ESIPT in the pyrrol pyridine molecule: mechanism, timescale and yield revealed using dynamics simulationsAnthony Ferté, Axel Houssin, Nina Albouy, et al.
Structural Dynamics (Melville, N.Y.)|July 16, 2020
Origin of core-to-core x-ray emission spectroscopy sensitivity to structural dynamicsMorgane Vacher, Kristjan Kunnus, Mickaël G Delcey, et al.
Chemical Science|March 19, 2019
How machine learning can assist the interpretation of <i>ab initio</i> molecular dynamics simulations and conceptual understanding of chemistryFlorian Häse, Ignacio Fdez Galván, Alán Aspuru-Guzik, et al.
Journal of Chemical Theory and Computation|April 25, 2017
Dynamical Insights into the Decomposition of 1,2-DioxetaneMorgane Vacher, Anders Brakestad, Hans O Karlsson, et al.
Journal of Computational Chemistry|April 3, 2019
Efficient calculations of a large number of highly excited states for multiconfigurational wavefunctionsMickael G Delcey, Lasse Kragh Sørensen, Morgane Vacher, et al.
The Journal of Physical Chemistry. A|December 4, 2014
Electronic control of initial nuclear dynamics adjacent to a conical intersectionMorgane Vacher, Jan Meisner, David Mendive-Tapia, et al.
The Journal of Chemical Physics|September 10, 2018
The Ehrenfest method with fully quantum nuclear motion (Qu-Eh): Application to charge migration in radical cationsAndrew J Jenkins, K Eryn Spinlove, Morgane Vacher, et al.
The Journal of Chemical Physics|November 3, 2016
Charge migration in polycyclic norbornadiene cations: Winning the race against decoherenceAndrew J Jenkins, Morgane Vacher, Rebecca M Twidale, et al.
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