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Theoretical study of the vibrational energy redistribution in CO and CO: N2 aggregates
Samuel del Fré
,
Alejandro Rivero Santamaría
,
Céline Toubin
,
Denis Duflot
,
Maurice Monnerville
et al.
Biennial conference of the National Program "Physics and Chemistry of the Interstellar Medium" (PCMI), Oct 2022, Paris, France
Conference papers
hal-03767811v1
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Molecular dynamics investigation of the influence of surfactants on halogens propensity at the air-water interface
Rawan Abouhaidar
,
Céline Toubin
,
Denis Duflot
Journées plénières 2022 du GDR EMIE, Jun 2022, Dunkerque, France
Conference papers
hal-03695128v1
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The Atmospheric Oxidation of CH3I by the OH Radical: the Effect of Water Vapor
Sonia Taamalli
,
Maxime Infuso
,
Fatima Amhani
,
Abderrahman El Bakali
,
Florent Louis
et al.
Twitter Latin American Conference EnvChemPSE 2022, Jul 2022, Mexico, Mexico
Conference poster
hal-03810397v1
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Étude théorique de la redistribution de l’énergie vibrationnelle dans des agrégats de CO
Samuel del Fré
,
Alejandro Rivero Santamaría
,
Céline Toubin
,
Denis Duflot
,
Maurice Monnerville
et al.
Rencontres des Chimistes Théoriciens Francophones (RCTF 2022), Jun 2022, Bordeaux, France. , 2022
Conference poster
hal-03706668v1
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Etude théorique de la réactivité du chlore radicalaire avec les particules d’acides gras
Césaire Rostand Fotsing Kwetche
,
Stéphane Briquez
,
Céline Toubin
,
Denis Duflot
JTMS17 "Journées Théorie, Modélisation et Simulation 2017", Jun 2017, Paris, France. , 2017
Conference poster
hal-01536236v1
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Microwave Spectrum of 1-Cyano-3-fluoro-but-1-ene.
Samir Kassi
,
D. Grée
,
R. Grée
,
Denis Duflot
,
Denis Petitprez
et al.
Journal articles
istex
hal-00880706v1
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Photoionization of the Buckminsterfullerene Cation
Suzie Douix
,
Denis Duflot
,
Denis Cubaynes
,
Jean-Marc Bizau
,
Alexandre Giuliani
et al.
12ème Soleil Users Meeting SUM, Jan 2017, Palaiseau, France
Conference papers
hal-01654662v1
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A complete theoretical study of the formation of H2CO and H3COH at the surface of interstellar grains
Denis Duflot
,
Phillip S. Peters
,
Céline Toubin
,
Cecilia Ceccarelli
,
C. Kahane
et al.
Faraday Discussion 168 Astrochemistry of Dust, Ice and Gas, Apr 2014, Leiden, Netherlands. , 2014
Conference poster
hal-01654696v1
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Theoretical study of the Si + OH → SiO + H reaction
Fabrice Dayou
,
Alejandro Rivero Santamaría
,
Denis Duflot
,
Maurice Monnerville
,
Jesus Rubayo-Soneira
et al.
12th workshop on Quantum Reactive Scattering (QRS12), Oct 2014, Oaxaca, Mexico
Conference papers
hal-01654220v1
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Fourier–transform microwave and millimeter–wave spectroscopy of CH2IBr in the ground vibrational state
Keisuke Taniguchi
,
S. Sakai
,
Hiroyuki Ozeki
,
Tomohito Obakayashi
,
W. C. Bailey
et al.
Leopoldina-Symposium "Spectroscopy and Molecular Dynamics at the Limit", Sep 2013, Zurich, Switzerland. , 2013
Conference poster
hal-01654676v1
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Experimental scaling of plane-Born cross sections and ab initio assignments for electron-impact excitation and dissociation of XF 4 (X = C, Si, and Ge) molecules
Denis Duflot
,
M. Hoshino
,
P. Limão-Vieira
,
S. Ohtomi
,
H. Tanaka
et al.
Journal articles
hal-01634259v1
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Experimental and theoretical investigation of organic aerosols
Antoine Roose
,
Céline Toubin
,
Sébastien Dusanter
,
Denis Duflot
,
Véronique Riffault
et al.
5ème journée scientifique du Labex CaPPA, Mar 2019, Villeneuve d'Ascq, France
Conference papers
hal-02964855v1
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The K-shell spectra of tetrahydrofuran studied by electron energy loss spectroscopy and ab initio calculations
Denis Duflot
,
Jean-Pierre Flament
,
Jacques Heinesch
,
Marie-Jeanne Hubin-Franskin
Journal articles
istex
hal-00880768v1
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Electronic excitation of C4F6 isomers by electron impact
K. Anzai
,
H. Kato
,
M. Hoshino
,
D. Mogi
,
T. Tanioka
et al.
XXVII International Conference on Photonic, Electronic and Atomic Collisions (ICPEAC 2011), Jul 2011, Belfast, United Kingdom. pp.2050
Conference papers
hal-00881220v1
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Theoretical Investigation of the Formation of H2CO in the Interstellar Medium: An Example of a Water Assisted Reaction
Phillip S. Peters
,
Denis Duflot
,
L. Wiesenfeld
,
Céline Toubin
International Conference on the Physics and Chemistry of Ice, Sep 2010, Sapporo, Japan. pp.299-306
Conference papers
hal-00880780v1
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The H + CO ⇌ HCO reaction studied by ab initio benchmark calculations.
Phillip S Peters
,
Denis Duflot
,
Laurent Wiesenfeld
,
Céline Toubin
Journal articles
hal-00880708v1
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Ground state analytical ab initio intermolecular potential for the Cl2-water system
Laureline Hormain
,
Maurice Monnerville
,
Céline Toubin
,
Denis Duflot
,
Brigitte Pouilly
et al.
Journal articles
hal-01225785v1
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A global ab initio potential energy surface for the X 2Aʹ ground state of the Si + OH → SiO + H reaction
Fabrice Dayou
,
Denis Duflot
,
Alejandro Rivero-Santamaría
,
Maurice Monnerville
Journal articles
hal-01231236v1
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Valence shell direct double photodetachment in polyanions
Claire Brunet
,
Rodolphe Antoine
,
Philippe Dugourd
,
Denis Duflot
,
Francis Canon
et al.
Journal articles
hal-00880436v1
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Molecular modeling of the interaction of halogenated molecules with the ice surface
Maurice Monnerville
,
Laureline Hormain
,
Denis Duflot
,
Stéphane Briquez
,
Brigitte Pouilly
et al.
12th workshop on Quantum Reactive Scattering (QRS12), Oct 2014, Oaxaca, Mexico
Conference papers
hal-01654223v1
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Electronic excitation to low-lying states of GeF4 molecule by electron impact: A comparative study with CF4 and SiF4 molecules
S. Ohtomi
,
M Matsui
,
Y. Mochizuki
,
A Suga
,
M Hoshino
et al.
XXIX International Conference on Photonic, Electronic and Atomic Collisions (ICPEAC2015), Jul 2015, Toledo, Spain. , 2015
Conference poster
hal-01654791v1
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Theoretical investigation of the reactivity of Cl radicals with fatty acids
Césaire Fotsing-Kwetche
,
Stéphane Briquez
,
Céline Toubin
,
Denis Duflot
Quatrième réunion annuelle du GDR ThéMS, Laboratoire PhLAM, UMR 8523 CNRS, Université de Lille, Dec 2016, Lille, France
Conference papers
hal-01655711v1
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Theoretical study of the adsorption of CH3I on ice and model sea-salt surfaces
Maxime Infuso
,
Florent Louis
,
Denis Duflot
,
Céline Toubin
2nd French-Slovak workshop on hot topics in physical chemistry and chemical physics – experiments and modelling, Sep 2022, Bratislava, Slovakia
Conference papers
hal-03813998v1
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Theoretical study of halogenated methyl hydroperoxides of atmospheric reactivity
Hana Mosbahi
,
Laura Esteves Fernandes
,
Zainab Srour
,
Maxime Infuso
,
Sonia Taamalli
et al.
Latin American Conference EnvChemPSE 2022, Jul 2022, Mexico, Mexico
Conference poster
hal-03810420v1
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A Molecular Scale Investigation of Organic/Inorganic Ion Selectivity at the Air–Liquid Interface
Ozge Ozgurel
,
Denis Duflot
,
Michel Masella
,
Florent Réal
,
Celine Toubin
et al.
Journal articles
hal-03726342v1
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Water-Induced Organization of Palmitic Acid at the Surface of a Model Sea Salt Particle: A Molecular Dynamics Study
Josip Lovrić
,
Denis Duflot
,
Maurice Monnerville
,
Céline Toubin
,
Stéphane Briquez
et al.
Journal articles
hal-01459136v1
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Experimental and theoretical investigation of HO2 sticking on dicarboxylic acid aerosols
Antoine Roose
,
Céline Toubin
,
Sébastien Dusanter
,
Véronique Riffault
,
Denis Duflot
et al.
GDR SUIE, Atelier Thématique "Séparation Phases Gazeuse / Particulaire de l'Aérosol, Dec 2018, Lille, France
Conference papers
hal-02083980v1
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Classical Molecular Dynamics Study of Small-Chain Carboxylic Acid Aerosol Particles
Antoine Roose
,
Céline Toubin
,
Sébastien Dusanter
,
Véronique Riffault
,
Denis Duflot
et al.
Journal articles
hal-02083941v1
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Electronic state spectroscopy of 1,4-pentadiene as studied by VUV photoabsorption spectroscopy and ab initio calculations.
S. Sério
,
Y. Nunes
,
S.V. Hoffman
,
N.J. Mason
,
Denis Duflot
et al.
Journal articles
hal-00880634v1
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Theoretical study of the HO2 sticking on glutaric acid aerosol surfaces
Antoine Roose
,
Denis Duflot
,
Céline Toubin
,
Sébastien Dusanter
,
Véronique Riffault
et al.
Réunion annuelle du Groupe de Cinétique et Photochimie en Phase Gazeuse, Jun 2017, Douai, France
Conference poster
hal-03146992v1
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