Publications by authors named "Aude Simon"

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Adsorption of Silver Clusters on Naphthalene: Theoretical Insights into Structural, Energetic, Electronic, and Infrared Properties.
Rahma Dahmani, Camille Alauzet, Gabriella Di Genova, Fernand Spiegelman, Aude Simon

J Phys Chem A· May 2025

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Diversity of protonated mixed pyrene-water clusters investigated by collision induced dissociation.
Arya M Nair, Héloïse Leboucher, Lorris Toucouere, Sébastien Zamith, Christine Joblin, Aude Simon

Phys Chem Chem Phys· February 2024

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Fingerprinting fragments of fragile interstellar molecules: dissociation chemistry of pyridine and benzonitrile revealed by infrared spectroscopy and theory.
Daniël B Rap, Aude Simon, Kim Steenbakkers, Johanna G M Schrauwen, Britta Redlich

Faraday Discuss· September 2023

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Accurate SCC-DFTB Parametrization of Liquid Water with Improved Atomic Charges and Iterative Boltzmann Inversion.
Nicolas Cinq, Aude Simon, Fernand Louisnard, Jérôme Cuny

J Phys Chem B· September 2023

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Formation of the acenaphthylene cation as a common CH-loss fragment in dissociative ionization of the PAH isomers anthracene and phenanthrene.
Shreyak Banhatti, Daniël B Rap, Aude Simon, Heloïse Leboucher, Gabi Wenzel

Phys Chem Chem Phys· November 2022

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Infrared Spectroscopy of Chemically Diverse Carbon Clusters: A Data-Driven Approach.
Florent Calvo, Aude Simon, Pascal Parneix, Cyril Falvo, Clément Dubosq

J Phys Chem A· July 2021

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Hydrogenation of C Carbon Clusters: Structural Diversity and Energetic Properties.
Paula Pla, Clément Dubosq, Mathias Rapacioli, Evgeny Posenitskiy, Manuel Alcamí, Aude Simon

J Phys Chem A· June 2021

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Impact of metals on (star)dust chemistry: a laboratory astrophysics approach.
Rémi Bérard, Kremena Makasheva, Karine Demyk, Aude Simon, Dianailys Nuñez Reyes

Front Astron Space Sci· March 2021

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Simulation of Liquids with the Tight-Binding Density-Functional Approach and Improved Atomic Charges.
Jérôme Cuny, Jesus Cerda Calatayud, Narjes Ansari, Ali A Hassanali, Mathias Rapacioli, Aude Simon

J Phys Chem B· August 2020

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Density-functional tight-binding: basic concepts and applications to molecules and clusters.
Fernand Spiegelman, Nathalie Tarrat, Jérôme Cuny, Leo Dontot, Evgeny Posenitskiy, Aude Simon

Adv Phys X· February 2020

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Ultrafast electronic relaxations from the S state of pyrene.
Jennifer A Noble, Christian Aupetit, Dominique Descamps, Stéphane Petit, Aude Simon

Phys Chem Chem Phys· July 2019

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Atomic hydrogen interactions with gas-phase coronene cations: hydrogenation versus fragmentation.
Mathias Rapacioli, Stéphanie Cazaux, Nolan Foley, Aude Simon, Ronnie Hoekstra

Phys Chem Chem Phys· September 2018

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Direct Evidence of the Benzylium and Tropylium Cations as the Two Long-Lived Isomers of C H.
Pavol Jusko, Aude Simon, Shreyak Banhatti, Sandra Brünken, Christine Joblin

Chemphyschem· September 2018

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Investigating the importance of edge-structure in the loss of H/H of PAH cations: the case of dibenzopyrene isomers.
Sarah Rodriguez Castillo, Aude Simon, Christine Joblin

Int J Mass Spectrom· June 2018

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Theoretical determination of adsorption and ionisation energies of polycyclic aromatic hydrocarbons on water ice.
Eric Michoulier, Nadia Ben Amor, Mathias Rapacioli, Jennifer A Noble, Joëlle Mascetti, Aude Simon

Phys Chem Chem Phys· May 2018

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Correction: Adsorption of PAHs on interstellar ice viewed by classical molecular dynamics.
Eric Michoulier, Jennifer A Noble, Aude Simon, Joëlle Mascetti, Céline Toubin

Phys Chem Chem Phys· April 2018

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Identification of the fragment of the 1-methylpyrene cation by mid-IR spectroscopy.
Pavol Jusko, Aude Simon, Gabi Wenzel, Sandra Brünken, Stephan Schlemmer

Chem Phys Lett· April 2018

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Adsorption of PAHs on interstellar ice viewed by classical molecular dynamics.
Eric Michoulier, Jennifer A Noble, Aude Simon, Joëlle Mascetti, Céline Toubin

Phys Chem Chem Phys· March 2018

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Photochemistry of Fe:HO Adducts in Argon Matrixes: A Combined Experimental and Theoretical Study in the Mid-IR and UV-Visible Regions.
Vincent Deguin, Joëlle Mascetti, Aude Simon, Nadia Ben Amor, Christian Aupetit

J Phys Chem A· January 2018

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Theoretical investigation of the solid-liquid phase transition in protonated water clusters.
Kseniia Korchagina, Aude Simon, Mathias Rapacioli, Fernand Spiegelman, Jean-Marc L'Hermite

Phys Chem Chem Phys· October 2017

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Structural Characterization of Sulfur-Containing Water Clusters Using a Density-Functional Based Tight-Binding Approach.
Kseniia A Korchagina, Aude Simon, Mathias Rapacioli, Fernand Spiegelman, Jérôme Cuny

J Phys Chem A· November 2016

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Cationic Methylene-Pyrene Isomers and Isomerization Pathways: Finite Temperature Theoretical Studies.
Mathias Rapacioli, Aude Simon, Charlotte C M Marshall, Jérôme Cuny, Damian Kokkin

J Phys Chem A· December 2015

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Phase changes of the water hexamer and octamer in the gas phase and adsorbed on polycyclic aromatic hydrocarbons.
Luiz Fernando L Oliveira, Jérôme Cuny, Maxime Morinière, Léo Dontot, Aude Simon

Phys Chem Chem Phys· July 2015

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Electronic Spectroscopy of [FePAH](+) Complexes in the Region of the Diffuse Interstellar Bands: Multireference Wave Function Studies on [FeC6H6](+).
Mathieu Lanza, Aude Simon, Nadia Ben Amor

J Phys Chem A· June 2015

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A density functional tight binding/force field approach to the interaction of molecules with rare gas clusters: application to (C6H6)(+/0)Ar(n) clusters.
Christophe Iftner, Aude Simon, Kseniia Korchagina, Mathias Rapacioli, Fernand Spiegelman

J Chem Phys· January 2014

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