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Physical Chemistry Chemical Physics : PCCP
|
January 19, 2011
Molecular dynamics simulations on [FePAH]+ π-complexes of astrophysical interest: anharmonic infrared spectroscopy
Aude Simon, Mathias Rapacioli, Mathieu Lanza, et al.
The Journal of Physical Chemistry. A
|
October 30, 2025
The ARMAGNHAC Database: A Ratio-based Molecular Analyzer and Generator of Numerous Hydrogenated Amorphous Carbons
Valentin Milia, Mathias Rapacioli, Christophe Zanon, 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 modes
Mathias Rapacioli, Florent Calvo, Christine Joblin, et al.
Journal of Chemical Information and Modeling
|
March 18, 2024
Exploring Molecular Energy Landscapes by Coupling the DFTB Potential with a Tree-Based Stochastic Algorithm: Investigation of the Conformational Diversity of Phthalates
Valentin Milia, Nathalie Tarrat, Christophe Zanon, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 3, 2021
Collision-induced dissociation of protonated uracil water clusters probed by molecular dynamics simulations
Linjie Zheng, Jérôme Cuny, Sébastien Zamith, et al.
Life Sciences in Space Research
|
February 26, 2026
Stability of ice-embedded glycine under space ionizing radiations: a RT-TD-DFT and DFT study
Dahbia Talbi, Stella Christodoulou, Maysa Yusef Buey, et al.
The Journal of Physical Chemistry. A
|
November 5, 2016
Structural Characterization of Sulfur-Containing Water Clusters Using a Density-Functional Based Tight-Binding Approach
Kseniia A Korchagina, Aude Simon, Mathias Rapacioli, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 28, 2018
Atomic hydrogen interactions with gas-phase coronene cations: hydrogenation versus fragmentation
Mathias Rapacioli, Stéphanie Cazaux, Nolan Foley, et al.
The Journal of Physical Chemistry. A
|
February 18, 2026
Electron-Induced Fragmentation Dynamics of 1-Methylpyrene (C<sub>17</sub>H<sub>12</sub>) Dications and Trications: C<sub>2</sub>H<sub><i>x</i></sub><sup><i>q</i>+</sup> Release Pathways
Eszter Dudás, Mathias Rapacioli, Patrick Moretto-Capelle, et al.
The Journal of Physical Chemistry. A
|
June 16, 2021
Hydrogenation of C<sub>24</sub> Carbon Clusters: Structural Diversity and Energetic Properties
Paula Pla, Clément Dubosq, Mathias Rapacioli, et al.
Page
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Search research articles
Search
Showing results (21-30 of 46) with videos related to
Sort By:
Page
of 5
Physical Chemistry Chemical Physics : PCCP
|
January 19, 2011
Molecular dynamics simulations on [FePAH]+ π-complexes of astrophysical interest: anharmonic infrared spectroscopy
Aude Simon, Mathias Rapacioli, Mathieu Lanza, et al.
The Journal of Physical Chemistry. A
|
October 30, 2025
The ARMAGNHAC Database: A Ratio-based Molecular Analyzer and Generator of Numerous Hydrogenated Amorphous Carbons
Valentin Milia, Mathias Rapacioli, Christophe Zanon, 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 modes
Mathias Rapacioli, Florent Calvo, Christine Joblin, et al.
Journal of Chemical Information and Modeling
|
March 18, 2024
Exploring Molecular Energy Landscapes by Coupling the DFTB Potential with a Tree-Based Stochastic Algorithm: Investigation of the Conformational Diversity of Phthalates
Valentin Milia, Nathalie Tarrat, Christophe Zanon, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 3, 2021
Collision-induced dissociation of protonated uracil water clusters probed by molecular dynamics simulations
Linjie Zheng, Jérôme Cuny, Sébastien Zamith, et al.
Life Sciences in Space Research
|
February 26, 2026
Stability of ice-embedded glycine under space ionizing radiations: a RT-TD-DFT and DFT study
Dahbia Talbi, Stella Christodoulou, Maysa Yusef Buey, et al.
The Journal of Physical Chemistry. A
|
November 5, 2016
Structural Characterization of Sulfur-Containing Water Clusters Using a Density-Functional Based Tight-Binding Approach
Kseniia A Korchagina, Aude Simon, Mathias Rapacioli, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 28, 2018
Atomic hydrogen interactions with gas-phase coronene cations: hydrogenation versus fragmentation
Mathias Rapacioli, Stéphanie Cazaux, Nolan Foley, et al.
The Journal of Physical Chemistry. A
|
February 18, 2026
Electron-Induced Fragmentation Dynamics of 1-Methylpyrene (C<sub>17</sub>H<sub>12</sub>) Dications and Trications: C<sub>2</sub>H<sub><i>x</i></sub><sup><i>q</i>+</sup> Release Pathways
Eszter Dudás, Mathias Rapacioli, Patrick Moretto-Capelle, et al.
The Journal of Physical Chemistry. A
|
June 16, 2021
Hydrogenation of C<sub>24</sub> Carbon Clusters: Structural Diversity and Energetic Properties
Paula Pla, Clément Dubosq, Mathias Rapacioli, et al.
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