Can PAH clusters survive in PDRs?
J. Montillaud
,
Christine Joblin
,
D. Toublanc
,
Aude Simon
,
P. Parneix
2011, pp.Poster57
Autre publication scientifique
hal-00843470v1
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Structural Characterization of Sulfur-Containing Water Clusters Using a Density-Functional Based Tight-Binding Approach
Kseniia Korchagina
,
Aude Simon
,
Mathias Rapacioli
,
Fernand Spiegelman
,
Jérôme Cuny
Article dans une revue
hal-01418247v1
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Propriétés statiques et dynamiques de complexes moléculaires : de l'expérience à la modélisation
Aude Simon
Chimie. Université de Toulouse (Paul Sabatier), 2014
HDR
tel-01071439v1
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Adsorption of PAHs on interstellar ice viewed from molecular dynamic
Eric Michoulier
,
Céline Toubin
,
Aude Simon
Réunion plénière – Forum jeunes chercheurs du GdR de Spectroscopie Moléculaire SPECMO , PhLAM laboratory, May 2017, Lille, France
Communication dans un congrès
hal-01525286v1
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Perspectives from Quantum Chemistry for molecules and nanograins with astrophysical Interes
Fernand Spiegelman
,
Mathias Rapacioli
,
Aude Simon
Chapitre d'ouvrage
hal-00843034v1
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Photodissociation of [Fe(x)(C24H12)y]+ complexes in the PIRENEA setup: iron-polycyclic aromatic hydrocarbon clusters as candidates for very small interstellar grains.
Aude Simon
,
Christine Joblin
Article dans une revue
hal-00843007v1
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Direct Evidence of the Benzylium and Tropylium Cations as the two long-lived Isomers of C7H7+
Pavol Jusko
,
Aude Simon
,
Shreyak Banhatti
,
Sandra Brünken
,
Christine Joblin
Article dans une revue
hal-01880438v1
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Laboratory investigation of shock-induced dissociation of buckminsterfullerene and astrophysical insights
S. Chakraborty
,
S. Yurchenko
,
R. Georges
,
Aude Simon
,
O. Lacinbala
,
et al.
Article dans une revue
hal-04431010v1
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Structural, dynamical and spectroscopic properties of atomic carbon clusters and clusters of polycyclic aromatic hydrocarbons
Mathias Rapacioli
,
Fernand Spiegelman
,
Aude Simon
European Conference on Laboratory Astrophysics (ECLA2020): "The Interplay of Dust, Ice, and Gas in Space" , Sep 2021, Anacapri, Italy. pp.161-167,
⟨10.1007/978-3-031-29003-9_17⟩
Communication dans un congrès
hal-04264289v1
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Adsorption of PAHs on interstellar ice viewed from molecular dynamics
Eric Michoulier
,
Céline Toubin
,
Aude Simon
The Astrochemical Week COST Action CM1401 , Jan 2017, Faro, Portugal
Communication dans un congrès
hal-01486230v1
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Ultrafast electronic relaxations from the S3 state of pyrene
Jennifer A. Noble
,
Christian Aupetit
,
Dominique Descamps
,
Stephane Petit
,
Aude Simon
,
et al.
Article dans une revue
hal-02073683v1
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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
,
et al.
Article dans une revue
hal-01252811v1
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Photochemistry of water:PAH complexes and ice mixtures: the role of molecular orientation in reactivity
Jennifer A. Noble
,
Eric Michoulier
,
Christelle Aupetit
,
Christophe Jouvet
,
Céline Toubin
,
et al.
AstroLille 2016 - Colloque bi-annuel du programme national INSU/PCMI , Oct 2016, Lillle, France.
, 2016
Poster de conférence
hal-01486250v1
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Water Clusters in an Argon Matrix: Infrared Spectra from Molecular Dynamics Simulations with a Self-Consistent Charge Density Functional-Based Tight Binding/Force-Field Potential
Aude Simon
,
Christophe Iftner
,
Joëlle Mascetti
,
Fernand Spiegelman
Article dans une revue
hal-01149493v1
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Modeling the adsorption of polycyclic carbonated molecules on interstellar ices
Eric Michoulier
,
Céline Toubin
,
Aude Simon
7th International Meeting on Atomic and Molecular Physics and Chemistry (IMAMPC2016) , Jun 2016, Le Havre, France
Communication dans un congrès
hal-01655680v1
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Shock-induced destruction of fullerenes and cosmic dust analogues: a laboratory perspective
Ludovic Biennier
,
Shubhadip Chakraborty
,
Robert Georges
,
Vijayanand Chandrasekaran
,
Aude Simon
,
et al.
CosmicPAH 2022 , Sep 2022, Aarhus, Denmark
Communication dans un congrès
hal-03856868v1
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Formation of the acenaphthylene cation as a common C2H2-loss fragment in dissociative ionization of the PAH isomers anthracene and phenanthrene
Shreyak Banhatti
,
Daniël B. Rap
,
Aude Simon
,
Héloïse Leboucher
,
Gabi Wenzel
,
et al.
Article dans une revue
hal-03884317v1
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Electronic excited states of benzene in interaction with water clusters: influence of structure and size
Nadia Ben Amor
,
Eric Michoulier
,
Aude Simon
Article dans une revue
hal-03241186v1
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Infrared spectroscopy of the benzylium-like (and tropylium-like) isomers formed in the -H dissociative ionization of methylated PAHs
Gabi Wenzel
,
Aude Simon
,
Shreyak Banhatti
,
Pavol Jusko
,
Stephan Schlemmer
,
et al.
Article dans une revue
insu-03672040v1
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Modeling of the reactivity of polycyclic carbonated molecules on grains for interstellar and atmospheric chemistry
Eric Michoulier
,
Céline Toubin
,
Maurice Monnerville
,
Aude Simon
Next generation quantum based molecular dy-namics: challenges and perspectives , Jul 2015, Bremen, Germany.
Poster de conférence
hal-01657828v1
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Phase changes of the water hexamer and octamer in the gas phase and adsorbed on polycyclic aromatic hydrocarbons
Luiz F. L. Oliveira
,
Jérôme Cuny
,
Maxime Morinière
,
Léo Dontot
,
Aude Simon
,
et al.
Article dans une revue
hal-01169312v1
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Photochemistry of Fe:H2O 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
,
et al.
Article dans une revue
hal-01693373v1
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The Computed Infrared Spectra of a Variety of [FePAH]+ Complexes: Mid- and Far-Infrared Features
Aude Simon
,
Christine Joblin
Article dans une revue
hal-00843027v1
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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
,
et al.
Article dans une revue
hal-01675239v2
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Theoretical description of interstellar ices from a multimethod approach
Eric Michoulier
,
Joelle Mascetti
,
Jennifer A. Noble
,
Céline Toubin
,
Aude Simon
Atelier-glaces : Les glaces astrophysiques: observations, modèles, expériences de laboratoires , Oct 2019, Paris, France
Communication dans un congrès
hal-02305382v1
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Impact of Metals on (Star)Dust Chemistry: A Laboratory Astrophysics Approach
Rémi Bérard
,
Kremena Makasheva
,
Karine Demyk
,
Aude Simon
,
Dianailys Nunez-Reyes
,
et al.
Article dans une revue
hal-03227179v1
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Processus physico-chimiques induits par les rayonnements ionisants dans le milieu interstellaire. L'exemple des molécules carbonées de grande taille.
Aude Simon
,
Emmanuel Dartois
,
Fernand Spiegelman
L'Actualité Chimique , 2021, La chimie sous rayonnement, 460-461, pp.34-41
Article dans une revue
hal-03195166v1
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Structures and stabilities of PAH clusters solvated by water aggregates: The case of the pyrene dimer
Héloïse Leboucher
,
Aude Simon
,
Mathias Rapacioli
Article dans une revue
hal-04037323v1
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Dissociation of polycyclic aromatic hydrocarbons: molecular dynamics studies
Aude Simon
,
Mathias Rapacioli
,
Guillaume Rouaut
,
Georges Trinquier
,
Florent X. Gadéa
Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences (1934–1990) , 2017, 375 (2092), pp.20160195.
⟨10.1098/rsta.2016.0195⟩
Article dans une revue
hal-01493419v1
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Contribution of the density-functional-based tight binding scheme to the description of water clusters: methods, applications and extension to bulk systems
Aude Simon
,
Mathias Rapacioli
,
Eric Michoulier
,
Linjie Zheng
,
Kseniia Korchagina
,
et al.
Article dans une revue
hal-01965494v1
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