About: Aude Simon

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An Entity of Type : foaf:Person, within Data Space : data.idref.fr associated with source document(s)

Attributes	Values
type	Person
sameAs	Simon, Aude (1974-.... ; chimiste) Simon, Aude (1974-.... ; chimiste) Simon, Aude (1974-.... ; chimiste)
Life Event	http://www.idref.fr/071334319/birth
preferred label	Simon, Aude (1974-.... ; chimiste)
name	Aude Simon
dbpedia-owl:citizenship	http://sws.geonames.org/3017382/
Language	http://lexvo.org/id/iso639-3/fra
Given name	Aude
familyName	Simon
has biographical i...tion (Deprecated)	Titulaire d'un doctorat en Chimie (Université Paris 11, Orsay, 2002) Chargée de Recherche au sein de l'équipe \"Modélisation, agrégats, dynamique\" (MAD) du Laboratoire de Chimie et Physique Quantiques (LCPQ - UMR CNRS 5626) de l’Université de Toulouse III - Paul Sabatier
gender	female
ORCID iD	0000-0002-2315-9490
ISI Researcher ID	F-1611-2017
Scopus ID	22968823100
is sameAs of	Simon, Aude (1974-.... ; chimiste) Simon, Aude (1974-.... ; chimiste)
is Thesis advisor of	http://www.sudoc.fr/193826321/id http://www.sudoc.fr/162102658/id Modélisation de complexes et agrégats moléculaires en matrice cryogénique http://www.sudoc.fr/194675998/id http://www.sudoc.fr/194698696/id http://www.sudoc.fr/162303688/id http://www.sudoc.fr/224465341/id Coordination du silicium aux hydrocarbures aromatiques polycycliques, modélisations et expériences dans les conditions du milieu interstellaire http://www.sudoc.fr/260067318/id http://www.sudoc.fr/263604756/id http://www.sudoc.fr/273723871/id Etude de la dissociation des hydrocarbures aromatiques polycycliques dans un contexte astrophysique http://www.sudoc.fr/260075906/id
is Author of	http://www.sudoc.fr/071285458/id A density functional tight binding/force field approach to the interaction of molecules with rare gas clusters: Application to (C6H6)+/0Ar n clusters Theoretical investigation of the solid–liquid phase transition in protonated water clusters Investigating the importance of edge-structure in the loss of H/H2 of PAH cations: The case of dibenzopyrene isomers Photo-processing of astro-PAHs http://www.sudoc.fr/246669357/id Photodissociation of [Fe(x)(C24H12)y]+ complexes in the PIRENEA setup: iron-polycyclic aromatic hydrocarbon clusters as candidates for very small interstellar grains. Structural Characterization of Sulfur-Containing Water Clusters Using a Density-Functional Based Tight-Binding Approach PAHs adsorbed on interstellar ice: a multi-method theoretical study Adsorption of PAHs on interstellar ice viewed from molecular dynamic Fingerprint Vibrational Spectra of Protonated Methyl Esters ofAmino Acids in the Gas Phase Cationic Methylene–Pyrene Isomers and Isomerization Pathways: Finite Temperature Theoretical Studies Modeling of the reactivity of polycyclic carbonated molecules on grains for interstellar and atmospheric chemistry PAHs adsorbed on interstellar ice: Structures, energetics and IR spectra from a multi-method theoretical study Infrared Multiphoton Dissociation Spectroscopy of Gas-PhaseMass-Selected Hydrocarbon−Fe+ Complexes Physical-chemical processes induced by ionizing radiations in the interstellar medium. The example of large carbonaceous molecules. Accurate SCC-DFTB Parametrization of Liquid Water with Improved Atomic Charges and Iterative Boltzmann Inversion Adsorption of PAHs on interstellar ice viewed from molecular dynamics Modeling the adsorption of polycyclic carbonated molecules on interstellar ices Photochemistry of Fe:H2O Adducts in Argon Matrixes: A Combined Experimental and Theoretical Study in the Mid-IR and UV–Visible Regions Direct Evidence of the Benzylium and Tropylium Cations as the two long-lived Isomers of C7H7+ Impact of Metals on (Star)Dust Chemistry: A Laboratory Astrophysics Approach [FePAH]+ complexes and [FexPAHy]+ clusters in the interstellar medium: stability and spectroscopy PAH-related Very Small Grains in photodissociation regions: implications from molecular simulations Vibrational spectroscopy and molecular dynamics of water monomers and dimers adsorbed on polycyclic aromatic hydrocarbons Electronic Spectroscopy of [FePAH]+ Complexes in the Region of the Diffuse Interstellar Bands: Multireference Wave Function Studies on [FeC6H6]+ Adsorption of PAHs on interstellar ice viewed from molecular dynamics Adsorption of PAHs on interstellar ice viewed from molecular dynamics Dissociation of polycyclic aromatic hydrocarbons at high energy: MD/DFTB simulations versus collision experiments Infrared Spectroscopy of [XFeC24H12]+ (X = C5H5, C5(CH3)5) Complexes in the Gas Phase: Experimental and Computational Studies of Astrophysical Interest Perspectives from Quantum Chemistry for molecules and nanograins with astrophysical Interest a New Approach to Investigate PAH Derived Cations as DIB Carriers Modélisation de l’adsorption et de la spectroscopie de HAPs à la surface de la glace interstellaire Static and dynamic properties of molecular systems : from experiment to theory Laboratory Studies of Polycyclic Aromatic Hydrocarbons: the Search for Interstellar Candidates Molecular Dynamics Simulations of Anharmonic Infrared Spectra of [SiPAH]+ π-Complexes Contribution of the density-functional-based tight binding scheme to the description of water clusters: methods, applications and extension to bulk systems Density-functional tight-binding: basic concepts and applications to molecules and clusters Thermochemistry and Infrared Spectroscopy of Neutral and Cationic Iron−PolycyclicAromatic Hydrocarbon Complexes of Astrophysical Interest: Fundamental DensityFunctional Theory Studies The Computed Infrared Spectra of a Variety of [FePAH]+ Complexes: Mid- and Far-Infrared Features PAH chemistry at eV internal energies. 1. H-shifted isomers Modeling of the reactivity of polycyclic carbonated molecules on grains for interstellar and atmospheric chemistry Quantum modeling of the optical spectra of carbon clusters structural families and relation to the interstellar extinction UV-bump https://hal.archives-ouvertes.fr/hal-04722571#id Signature of [SiPAH]+ pi-complexes in the interstellar medium PAH chemistry at eV internal energies. 2. Ring alteration and dissociation Theoretical determination of adsorption and ionisation energies of polycyclic aromatic hydrocarbons on water ice Mapping the structural diversity of C 60 carbon clusters and their infrared spectra Molecular dynamics simulations on [FePAH]+ π-complexes of astrophysical interest: anharmonic infrared spectroscopy. Modeling the adsorption of polycyclic carbonated molecules on interstellar ices Ultrafast electronic relaxations from the S3 state of pyrene Emission spectra of fullerenes: Computational evidence for blackbody-like radiation due to structural diversity and electronic similarity PAH-related Very Small Grains in photodissociation regions: implications from molecular simulations Water clusters adsorbed on polycyclic aromatic hydrocarbons: Energetics and conformational dynamics Photochemistry of water:PAH complexes and ice mixtures: the role of molecular orientation in reactivity Atomic hydrogen interactions with gas-phase coronene cations: hydrogenation versus fragmentation Adsorption of PAHs on interstellar ice viewed by classical molecular dynamics Extensions of DFTB to investigate molecular complexes and clusters The structure of 1,3-butadiene clusters Spectroscopie Infrarouge d'agrégats carbonés de chimie variée: une approche par échantillonage statistique Laboratory investigation of shock-induced dissociation of buckminsterfullerene and astrophysical insights A plausible molecular mechanism to explain near-infrared continuum emission: Recurrent fluorescence [FePAH] + complexes and [Fe xPAH y] + clusters in the interstellar medium: stability and spectroscopy Perspectives from Quantum Chemistry for molecules and nanograins with astrophysical Interes Theoretical description of interstellar ices from a multimethod approach Electronic excited states of benzene in interaction with water clusters: influence of structure and size Phase changes of the water hexamer and octamer in the gas phase and adsorbed on polycyclic aromatic hydrocarbons Photochemistry of PAH in water ice and of PAH:water complexes. Reaction mechanisms and astrophysical implications.

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