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Fernand Spiegelman

Showing results (11-20 of 36) with videos related to

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Journal of Chemical Theory and Computation|November 26, 2015
Modeling Charge Resonance in Cationic Molecular Clusters: Combining DFT-Tight Binding with Configuration InteractionMathias Rapacioli, Fernand Spiegelman, Anthony Scemama, et al.
The Journal of Chemical Physics|February 24, 2020
Theoretical investigation of the electronic relaxation in highly excited chrysene and tetracene: The effect of armchair vs zigzag edgeEvgeny Posenitskiy, Mathias Rapacioli, Didier Lemoine, et al.
Physical Chemistry Chemical Physics : PCCP|April 13, 2012
Vibrational spectroscopy and molecular dynamics of water monomers and dimers adsorbed on polycyclic aromatic hydrocarbonsAude Simon, Mathias Rapacioli, Joëlle Mascetti, et al.
Physical Chemistry Chemical Physics : PCCP|January 12, 2016
An extended DFTB-CI model for charge-transfer excited states in cationic molecular clusters: model studies versus ab initio calculations in small PAH clustersLéo Dontot, Nicolas Suaud, Mathias Rapacioli, et al.
The Journal of Physical Chemistry. A|February 5, 2015
Water clusters in an argon matrix: infrared spectra from molecular dynamics simulations with a self-consistent charge density functional-based tight binding/force-field potentialAude Simon, Christophe Iftner, Joëlle Mascetti, et al.
The Journal of Chemical Physics|November 2, 2010
A comprehensive theoretical investigation of the electronic states of Ca2 up to the Ca(4s(2) 1S) + Ca(4s5p  1P) dissociation limitThomas Bouissou, Gérard Durand, Marie-Catherine Heitz, et al.
Physical Chemistry Chemical Physics : PCCP|January 19, 2011
Molecular dynamics simulations on [FePAH]+ π-complexes of astrophysical interest: anharmonic infrared spectroscopyAude Simon, Mathias Rapacioli, Mathieu Lanza, et al.
Physical Chemistry Chemical Physics : PCCP|May 31, 2019
Non-adiabatic molecular dynamics investigation of the size dependence of the electronic relaxation in polyacenesEvgeny Posenitskiy, Mathias Rapacioli, Bruno Lepetit, et al.
The Journal of Physical Chemistry. A|March 31, 2007
Vibrations and thermodynamics of clusters of polycyclic aromatic hydrocarbon molecules: the role of internal modesMathias Rapacioli, Florent Calvo, Christine Joblin, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|June 20, 2018
Density-functional tight-binding approach for metal clusters, nanoparticles, surfaces and bulk: application to silver and goldJérôme Cuny, Nathalie Tarrat, Fernand Spiegelman, et al.
Pageof 4

Showing results (11-20 of 36) with videos related to

Sort By:
Pageof 4
Journal of Chemical Theory and Computation|November 26, 2015
Modeling Charge Resonance in Cationic Molecular Clusters: Combining DFT-Tight Binding with Configuration InteractionMathias Rapacioli, Fernand Spiegelman, Anthony Scemama, et al.
The Journal of Chemical Physics|February 24, 2020
Theoretical investigation of the electronic relaxation in highly excited chrysene and tetracene: The effect of armchair vs zigzag edgeEvgeny Posenitskiy, Mathias Rapacioli, Didier Lemoine, et al.
Physical Chemistry Chemical Physics : PCCP|April 13, 2012
Vibrational spectroscopy and molecular dynamics of water monomers and dimers adsorbed on polycyclic aromatic hydrocarbonsAude Simon, Mathias Rapacioli, Joëlle Mascetti, et al.
Physical Chemistry Chemical Physics : PCCP|January 12, 2016
An extended DFTB-CI model for charge-transfer excited states in cationic molecular clusters: model studies versus ab initio calculations in small PAH clustersLéo Dontot, Nicolas Suaud, Mathias Rapacioli, et al.
The Journal of Physical Chemistry. A|February 5, 2015
Water clusters in an argon matrix: infrared spectra from molecular dynamics simulations with a self-consistent charge density functional-based tight binding/force-field potentialAude Simon, Christophe Iftner, Joëlle Mascetti, et al.
The Journal of Chemical Physics|November 2, 2010
A comprehensive theoretical investigation of the electronic states of Ca2 up to the Ca(4s(2) 1S) + Ca(4s5p  1P) dissociation limitThomas Bouissou, Gérard Durand, Marie-Catherine Heitz, et al.
Physical Chemistry Chemical Physics : PCCP|January 19, 2011
Molecular dynamics simulations on [FePAH]+ π-complexes of astrophysical interest: anharmonic infrared spectroscopyAude Simon, Mathias Rapacioli, Mathieu Lanza, et al.
Physical Chemistry Chemical Physics : PCCP|May 31, 2019
Non-adiabatic molecular dynamics investigation of the size dependence of the electronic relaxation in polyacenesEvgeny Posenitskiy, Mathias Rapacioli, Bruno Lepetit, et al.
The Journal of Physical Chemistry. A|March 31, 2007
Vibrations and thermodynamics of clusters of polycyclic aromatic hydrocarbon molecules: the role of internal modesMathias Rapacioli, Florent Calvo, Christine Joblin, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|June 20, 2018
Density-functional tight-binding approach for metal clusters, nanoparticles, surfaces and bulk: application to silver and goldJérôme Cuny, Nathalie Tarrat, Fernand Spiegelman, et al.
Pageof 4