Theoretical Determination of Binding Energies of Small Molecules on Interstellar Ice Surfaces von Duflot, Denis, Toubin, Celine, Monnerville, Maurice

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Editorial: Understanding the Astrophysical Molecular Complexity: Theoretical and Experimental Investigations von Kerkeni, Boutheïna, Duflot, Denis, Feautrier, Nicole

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The H + CO ⇌ HCO reaction studied by ab initio benchmark calculations von Peters, Phillip S, Duflot, Denis, Wiesenfeld, Laurent, Toubin, Céline

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QM/MM Study of the H2 Formation on the Surface of a Water Ice Grain Doped With Formaldehyde: Molecular Dynamics and Reaction Kinetics von Kerkeni, Boutheïna, Boukallaba, Malek, Hechmi, Mariem, Duflot, Denis, Toubin, Céline

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A global ab initio potential energy surface for the X 2A′ ground state of the Si + OH → SiO + H reaction von Dayou Fabrice, Duflot Denis, Rivero-Santamaría, Alejandro, Monnerville Maurice

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On the electronic structure of methyl butyrate and methyl valerate von Śmiałek, Małgorzata A., Duflot, Denis, Jones, Nykola C., Hoffmann, Søren Vrønning, Zuin, Lucia, Macdonald, Michael, Mason, Nigel J., Limão-Vieira, Paulo

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Theoretical Investigation of the Isomerization of trans-HCOH to H2CO: An Example of a Water-Catalyzed Reaction von Peters, Phillip S, Duflot, Denis, Faure, Alexandre, Kahane, Claudine, Ceccarelli, Cecilia, Wiesenfeld, Laurent, Toubin, Céline

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Ground state analytical ab initio intermolecular potential for the Cl2-water system von Hormain, Laureline, Monnerville, Maurice, Toubin, Céline, Duflot, Denis, Pouilly, Brigitte, Briquez, Stéphane, Bernal-Uruchurtu, Margarita I., Hernández-Lamoneda, Ramón

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Valence shell direct double photodetachment in polyanions von Brunet, Claire, Antoine, Rodolphe, Dugourd, Philippe, Duflot, Denis, Canon, Francis, Giuliani, Alexandre, Nahon, Laurent

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Automatic Determination of the Non-Covalent Stable Conformations of the NO 2 -Pyrene Cluster in Full Dimensionality (81D) Using the vdW-TSSCDS Approach von Panadés-Barrueta, Ramón L, Duflot, Denis, Soto, Juan, Martínez-Núñez, Emilio, Peláez, Daniel

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Water ice deuteration: a tracer of the chemical history of protostars von Taquet, V., Peters, P. S., Kahane, C., Ceccarelli, C., López-Sepulcre, A., Toubin, C., Duflot, D., Wiesenfeld, L.

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Exploring the low-lying electronic states of C4H6OS isomers, dihydro-2(3H)-thiophenone and dihydro-3(2H)-thiophenone von Kumar, S., Duflot, D., Jones, N.C., Hoffmann, S.V., Limão-Vieira, P.

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Carotenoids: Experimental Ionization Energies and Capacity at Inhibiting Lipid Peroxidation in a Chemical Model of Dietary Oxidative Stress von Goupy, Pascale, Carail, Michel, Giuliani, Alexandre, Duflot, Denis, Dangles, Olivier, Caris-Veyrat, Catherine

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Unraveling Aqueous Alcohol Freezing : new theoretical tools from graph theory to extract molecular processes in MD simulations von AbouHaidar, Rawan, Bougueroua, Sana, DUFLOT, Denis, Gaigeot, Marie-Pierre, Wyslouzil, Barbara E, Toubin, Celine

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The electronic structure of 2(5H)-thiophenone investigated by vacuum ultraviolet synchrotron radiation and theoretical calculations von Kumar, S., Duflot, D., Jones, N. C., Hoffmann, S. V., García, G., Limão-Vieira, P.

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Mechanism of Ultraviolet-Induced CO Desorption from CO Ice: Role of Vibrational Relaxation Highlighted von Del Fré, Samuel, Santamaría, Alejandro Rivero, Duflot, Denis, Basalgète, Romain, Féraud, Géraldine, Bertin, Mathieu, Fillion, Jean-Hugues, Monnerville, Maurice

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Electronic excitation of gaseous acetic acid studied by K-shell electron energy loss spectroscopy and ab initio calculations von Duflot, Denis, Flament, Jean-Pierre, Giuliani, Alexandre, Heinesch, Jacques, Hubin-Franskin, Marie-Jeanne

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Spectroscopy and Photodissociation of the Perfluorooctanoate Anion von Douix, Suzie, Dossmann, Héloïse, Nicol, Edith, Duflot, Denis, Giuliani, Alexandre

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Photoionization of the Buckminsterfullerene Cation von Douix, Suzie, Duflot, Denis, Cubaynes, Denis, Bizau, Jean-Marc, Giuliani, Alexandre

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A combined experimental and theoretical study of the lowest-lying valence, Rydberg and ionic electronic states of 2,4,6-trichloroanisole von Kumar, S., Duflot, D., Hoffmann, S.V., Jones, N.C., Bolognesi, P., Carlini, L., Richter, R., Avaldi, L., Brunger, M.J., Limão-Vieira, P.

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