Valence-shell ionization of acetyl cyanide: simulation of the photoelectron and infra-red spectra von Carniato, Stéphane

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Unraveling the variational breakdown of core valence separation calculations: Diagnostic and cure to the over relaxation error of double core hole states von Ferté, Anthony, Giner, Emmanuel, Taïeb, Richard, Carniato, Stéphane

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Using principal component analysis for neural network high-dimensional potential energy surface von Casier, Bastien, Carniato, Stéphane, Miteva, Tsveta, Capron, Nathalie, Sisourat, Nicolas

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Fingerprint of Dipole Moment Orientation of Water Molecules in Cu2+ Aqueous Solution Probed by X‑ray Photoelectron Spectroscopy von Mosaferi, Mohammadreza, Céolin, Denis, Rueff, Jean-Pascal, Selles, Patricia, Odelius, Michael, Björneholm, Olle, Öhrwall, Gunnar, Carniato, Stéphane

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Electronic Structure Sensitivity to Hydration in Smectite Clays Unveiled by Near-Ambient Pressure X‑ray Photoelectron Spectroscopy von Boucly, Anthony, Rochet, François, Tissot, Héloïse, Arnoux, Quentin, Gallet, Jean-Jacques, Bournel, Fabrice, Carniato, Stéphane, Dubois, Emmanuelle, Michot, Laurent, Marry, Virginie

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Evolution of Electronegativity of Chlorinated Sulfur‐Containing and Organic Compounds from Neutral to Core‐Excited/Ionized States von Carniato, Stéphane

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Specific chemical bond relaxation unraveled by analysis of shake-up satellites in the oxygen single site double core hole spectrum of CO2 von Ferté, Anthony, Penent, Francis, Palaudoux, Jérôme, Iwayama, Hiroshi, Shigemasa, Eiji, Hikosaka, Yasumasa, Soejima, Kouichi, Lablanquie, Pascal, Taïeb, Richard, Carniato, Stéphane

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Ionization energies of hydrogen-bonded dimers with the outer-valence Green’s function method von Casier, Bastien, Carniato, Stéphane, Miteva, Tsveta, Sisourat, Nicolas, Capron, Nathalie

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Trimethylamine Probes Isolated Silicon Dangling Bonds and Surface Hydroxyls of (H,OH)-Si(001) von Ramírez, Lucía Pérez, Fornefeld, Niklas, Bournel, Fabrice, Kubsky, Stefan, Magnano, Elena, Bondino, Federica, Köhler, Ulrich, Carniato, Stéphane, Gallet, Jean-Jacques, Rochet, François

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Hard-X-Ray-Induced Multistep Ultrafast Dissociation von Travnikova, Oksana, Marchenko, Tatiana, Goldsztejn, Gildas, Jänkälä, Kari, Sisourat, Nicolas, Carniato, Stéphane, Guillemin, Renaud, Journel, Loïc, Céolin, Denis, Püttner, Ralph, Iwayama, Hiroshi, Shigemasa, Eiji, Piancastelli, Maria Novella, Simon, Marc

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Keto–enol tautomerism in micro-hydrated acetylacetone: an atoms-in-molecules study von Casier, Bastien, Sisourat, Nicolas, Carniato, Stéphane, Capron, Nathalie

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Hydrogen Bonding of Ammonia with (H,OH)-Si(001) Revealed by Experimental and Ab Initio Photoelectron Spectroscopy von Pérez Ramírez, Lucía, Gallet, Jean-Jacques, Bournel, Fabrice, Lim, Florence, Carniato, Stéphane, Rochet, François, Yazyev, Oleg V, Pasquarello, Alfredo, Magnano, Elena, Bondino, Federica

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Alternative Pathway to Double-Core-Hole States von Ismail, Iyas, Ferté, Anthony, Penent, Francis, Guillemin, Renaud, Peng, Dawei, Marchenko, Tatiana, Travnikova, Oksana, Inhester, Ludger, Taïeb, Richard, Verma, Abhishek, Velasquez, Nicolas, Kukk, Edwin, Trinter, Florian, Koulentianos, Dimitris, Mazza, Tommaso, Baumann, Thomas M, Rivas, Daniel E, Ovcharenko, Yevheniy, Boll, Rebecca, Dold, Simon, De Fanis, Alberto, Ilchen, Markus, Meyer, Michael, Goldsztejn, Gildas, Li, Kai, Doumy, Gilles, Young, Linda, Sansone, Giuseppe, Dörner, Reinhard, Piancastelli, Maria Novella, Carniato, Stéphane, Bozek, John D, Püttner, Ralph, Simon, Marc

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Advanced Computation Method for Double Core Hole Spectra: Insight into the Nature of Intense Shake-up Satellites von Ferte, Anthony, Palaudoux, Jerome, Penent, Francis, Iwayama, Hiroshi, Shigemasa, Eiji, Hikosaka, Yasumasa, Soejima, Kouichi, Ito, Kenji, Lablanquie, Pascal, Taieb, Richard, Carniato, Stephane

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Ab initio study of low-lying excited states of HCl: accurate calculations of optical valence-shell excitations von Engin, Selma, Sisourat, Nicolas, Carniato, Stéphane

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L-edge photoelectron spectra of silicon hydride cations: Imprint of molecular-field and spin-orbit effects von Puglisi, Alessandra, Selles, Patricia, Sisourat, Nicolas, Carniato, Stephane

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Energy-Level Alignment of a Hole-Transport Organic Layer and ITO: Toward Applications for Organic Electronic Devices von Arnoux, Quentin, Boucly, Anthony, Barth, Vincent, Benbalagh, Rabah, Cossaro, Albano, Floreano, Luca, Silly, Mathieu, Sirotti, Fausto, Derat, Etienne, Carniato, Stéphane, Bournel, Fabrice, Gallet, Jean-Jacques, Fichou, Denis, Tortech, Ludovic, Rochet, François

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Ab-initio method for X-ray absorption spectra simulation of hydride molecular ions von Puglisi, Alessandra, Sisourat, Nicolas, Carniato, Stéphane

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Correction: Probing keto-enol tautomerism using photoelectron spectroscopy von Capron, Nathalie, Casier, Bastien, Sisourat, Nicolas, Piancastelli, Maria Novella, Simon, Marc, Carniato, Stéphane

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Probing keto-enol tautomerism using photoelectron spectroscopy von Capron, Nathalie, Casier, Bastien, Sisourat, Nicolas, Piancastelli, Maria Novella, Simon, Marc, Carniato, Stéphane

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