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Mathias Rapacioli

Showing results (11-20 of 46) with videos related to

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The Journal of Chemical Physics|April 7, 2007
Car-Parrinello treatment for an approximate density-functional theory methodMathias Rapacioli, Robert Barthel, Thomas Heine, et al.
Journal of Molecular Spectroscopy|July 14, 2021
Anharmonic Infrared Spectra of Thermally Excited Pyrene (C<sub>16</sub>H<sub>10</sub>): A Combined View of DFT-Based GVPT2 with AnharmonicCaOs, and Approximate DFT Molecular dynamics with DemonNanoShubhadip Chakraborty, Giacomo Mulas, Mathias Rapacioli, et al.
The European Physical Journal. D, Atomic, Molecular, and Optical Physics|February 18, 2021
Dependence upon charge of the vibrational spectra of small Polycyclic Aromatic Hydrocarbon clusters: the example of pyreneLéo Dontot, Fernand Spiegelman, Sébastien Zamith, 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.
Molecules (Basel, Switzerland)|August 12, 2023
Low-Energy Transformation Pathways between Naphthalene IsomersGrégoire Salomon, Nathalie Tarrat, J Christian Schön, et al.
Physical Chemistry Chemical Physics : PCCP|January 3, 2024
Temperature driven transformations of glycine molecules embedded in interstellar iceMaysa Yusef-Buey, Tzonka Mineva, Dahbia Talbi, et al.
Physical Chemistry Chemical Physics : PCCP|June 16, 2026
Interstellar ice embedded glycine response to H<sup>+</sup>/proton irradiation. A theoretical studyMaysa Yusef-Buey, Dahbia Talbi, Mathias Rapacioli, 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.
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.
The Journal of Chemical Physics|February 12, 2015
A density functional tight binding/force field approach to the interaction of molecules with rare gas clusters: application to (C6H6)(+/0)Ar(n) clustersChristophe Iftner, Aude Simon, Kseniia Korchagina, et al.
Pageof 5

Showing results (11-20 of 46) with videos related to

Sort By:
Pageof 5
The Journal of Chemical Physics|April 7, 2007
Car-Parrinello treatment for an approximate density-functional theory methodMathias Rapacioli, Robert Barthel, Thomas Heine, et al.
Journal of Molecular Spectroscopy|July 14, 2021
Anharmonic Infrared Spectra of Thermally Excited Pyrene (C<sub>16</sub>H<sub>10</sub>): A Combined View of DFT-Based GVPT2 with AnharmonicCaOs, and Approximate DFT Molecular dynamics with DemonNanoShubhadip Chakraborty, Giacomo Mulas, Mathias Rapacioli, et al.
The European Physical Journal. D, Atomic, Molecular, and Optical Physics|February 18, 2021
Dependence upon charge of the vibrational spectra of small Polycyclic Aromatic Hydrocarbon clusters: the example of pyreneLéo Dontot, Fernand Spiegelman, Sébastien Zamith, 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.
Molecules (Basel, Switzerland)|August 12, 2023
Low-Energy Transformation Pathways between Naphthalene IsomersGrégoire Salomon, Nathalie Tarrat, J Christian Schön, et al.
Physical Chemistry Chemical Physics : PCCP|January 3, 2024
Temperature driven transformations of glycine molecules embedded in interstellar iceMaysa Yusef-Buey, Tzonka Mineva, Dahbia Talbi, et al.
Physical Chemistry Chemical Physics : PCCP|June 16, 2026
Interstellar ice embedded glycine response to H<sup>+</sup>/proton irradiation. A theoretical studyMaysa Yusef-Buey, Dahbia Talbi, Mathias Rapacioli, 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.
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.
The Journal of Chemical Physics|February 12, 2015
A density functional tight binding/force field approach to the interaction of molecules with rare gas clusters: application to (C6H6)(+/0)Ar(n) clustersChristophe Iftner, Aude Simon, Kseniia Korchagina, et al.
Pageof 5