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Mathias Rapacioli

Showing results (31-40 of 46) with videos related to

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The Journal of Chemical Physics|July 2, 2009
Correction for dispersion and Coulombic interactions in molecular clusters with density functional derived methods: application to polycyclic aromatic hydrocarbon clustersMathias Rapacioli, Fernand Spiegelman, Dahbia Talbi, et al.
The Journal of Physical Chemistry. B|July 23, 2020
Simulation of Liquids with the Tight-Binding Density-Functional Approach and Improved Atomic ChargesJérôme Cuny, Jesus Cerda Calatayud, Narjes Ansari, et al.
The Journal of Chemical Physics|August 11, 2020
Threshold collision induced dissociation of pyrene cluster cationsSébastien Zamith, Jean-Marc L'Hermite, Léo Dontot, et al.
The Journal of Physical Chemistry. A|October 14, 2016
Benchmarking Density Functional Based Tight-Binding for Silver and Gold Materials: From Small Clusters to BulkLuiz F L Oliveira, Nathalie Tarrat, Jérôme Cuny, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|October 19, 2013
Quantifying charge transfer energies at donor-acceptor interfaces in small-molecule solar cells with constrained DFTB and spectroscopic methodsReinhard Scholz, Regina Luschtinetz, Gotthard Seifert, et al.
Physical Chemistry Chemical Physics : PCCP|February 1, 2023
Electronic effects in the dissociative ionisation of pyrene clustersGustavo A Garcia, Léo Dontot, Mathias Rapacioli, et al.
The Journal of Chemical Physics|November 24, 2019
Thermal evaporation of pyrene clustersSébastien Zamith, Ming-Chao Ji, Jean-Marc L'Hermite, et al.
Physical Chemistry Chemical Physics : PCCP|April 19, 2018
Theoretical determination of adsorption and ionisation energies of polycyclic aromatic hydrocarbons on water iceEric Michoulier, Nadia Ben Amor, Mathias Rapacioli, et al.
The Journal of Physical Chemistry. A|November 25, 2015
Cationic Methylene-Pyrene Isomers and Isomerization Pathways: Finite Temperature Theoretical StudiesMathias Rapacioli, Aude Simon, Charlotte C M Marshall, et al.
Physical Chemistry Chemical Physics : PCCP|October 3, 2017
Theoretical investigation of the solid-liquid phase transition in protonated water clustersKseniia Korchagina, Aude Simon, Mathias Rapacioli, et al.
Pageof 5

Showing results (31-40 of 46) with videos related to

Sort By:
Pageof 5
The Journal of Chemical Physics|July 2, 2009
Correction for dispersion and Coulombic interactions in molecular clusters with density functional derived methods: application to polycyclic aromatic hydrocarbon clustersMathias Rapacioli, Fernand Spiegelman, Dahbia Talbi, et al.
The Journal of Physical Chemistry. B|July 23, 2020
Simulation of Liquids with the Tight-Binding Density-Functional Approach and Improved Atomic ChargesJérôme Cuny, Jesus Cerda Calatayud, Narjes Ansari, et al.
The Journal of Chemical Physics|August 11, 2020
Threshold collision induced dissociation of pyrene cluster cationsSébastien Zamith, Jean-Marc L'Hermite, Léo Dontot, et al.
The Journal of Physical Chemistry. A|October 14, 2016
Benchmarking Density Functional Based Tight-Binding for Silver and Gold Materials: From Small Clusters to BulkLuiz F L Oliveira, Nathalie Tarrat, Jérôme Cuny, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|October 19, 2013
Quantifying charge transfer energies at donor-acceptor interfaces in small-molecule solar cells with constrained DFTB and spectroscopic methodsReinhard Scholz, Regina Luschtinetz, Gotthard Seifert, et al.
Physical Chemistry Chemical Physics : PCCP|February 1, 2023
Electronic effects in the dissociative ionisation of pyrene clustersGustavo A Garcia, Léo Dontot, Mathias Rapacioli, et al.
The Journal of Chemical Physics|November 24, 2019
Thermal evaporation of pyrene clustersSébastien Zamith, Ming-Chao Ji, Jean-Marc L'Hermite, et al.
Physical Chemistry Chemical Physics : PCCP|April 19, 2018
Theoretical determination of adsorption and ionisation energies of polycyclic aromatic hydrocarbons on water iceEric Michoulier, Nadia Ben Amor, Mathias Rapacioli, et al.
The Journal of Physical Chemistry. A|November 25, 2015
Cationic Methylene-Pyrene Isomers and Isomerization Pathways: Finite Temperature Theoretical StudiesMathias Rapacioli, Aude Simon, Charlotte C M Marshall, et al.
Physical Chemistry Chemical Physics : PCCP|October 3, 2017
Theoretical investigation of the solid-liquid phase transition in protonated water clustersKseniia Korchagina, Aude Simon, Mathias Rapacioli, et al.
Pageof 5