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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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Formation of coronene:water complexes: FTIR study in argon matrices and theoretical characterisation
Aude Simon
,
J.A. Noble
,
Guillaume Rouaut
,
Audrey Moudens
,
C. Aupetit
,
et al.
Article dans une revue
hal-01494011v1
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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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Adsorption of PAHs on interstellar ice viewed by classical molecular dynamics
Eric Michoulier
,
Jennifer A. Noble
,
Aude Simon
,
Joëlle Mascetti
,
Céline Toubin
Article dans une revue
hal-01742363v1
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A density functional tight binding/force field approach to the interaction of molecules with rare gas clusters: Application to (C6H6)+/0Ar n clusters
Christophe Iftner
,
Aude Simon
,
Kseniia Korchagina
,
Mathias Rapacioli
,
Fernand Spiegelman
Article dans une revue
hal-00935781v1
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a New Approach to Investigate PAH Derived Cations as DIB Carriers
D. L. Kokkin
,
C. Marshall
,
A. Bonnamy
,
Christine Joblin
,
Aude Simon
67th International Symposium on Molecular Spectroscopy , Jun 2012, Ohio State University, United States. pp.Abstract id. #WI04
Communication dans un congrès
hal-00843495v1
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Water clusters adsorbed on polycyclic aromatic hydrocarbons: Energetics and conformational dynamics
Aude Simon
,
Fernand Spiegelman
Article dans une revue
hal-00843526v1
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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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Laboratory Studies of Polycyclic Aromatic Hydrocarbons: the Search for Interstellar Candidates
Christine Joblin
,
O. Berné
,
Aude Simon
,
G. Mulas
International Conference Cosmic Dust Near and Far , Sep 2008, Heidelberg, Germany. pp.383-402
Communication dans un congrès
hal-00843017v1
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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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PAHs adsorbed on interstellar ice: Structures, energetics and IR spectra from a multi-method theoretical study
Eric Michoulier
,
Céline Toubin
,
Aude Simon
256th ACS National Meeting , Aug 2018, Boston, United States
Communication dans un congrès
hal-01857915v1
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PAHs adsorbed on interstellar ice: a multi-method theoretical study
Eric Michoulier
,
Céline Toubin
,
Aude Simon
AstroLille 2016 - Colloque bi-annuel du programme national INSU/PCMI , Oct 2016, Lille, France.
, 2016
Poster de conférence
hal-01486276v1
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[FePAH]+ complexes and [FexPAHy]+ clusters in the interstellar medium: stability and spectroscopy
Aude Simon
,
Mathias Rapacioli
,
Fernand Spiegelman
,
Christine Joblin
Article dans une revue
hal-00843041v1
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Modeling the adsorption of polycyclic carbonated molecules on interstellar ices
Eric Michoulier
,
Céline Toubin
,
Maurice Monnerville
,
Aude Simon
25th International Symposium on Polycyclic Aromatic Compounds, ISPAC 2015 , Sep 2015, Bordeaux, France
Communication dans un congrès
hal-01655659v1
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