Trends in the Adsorption of 3d Transition Metal Atoms onto Graphene and Nanotube Surfaces: A DFT Study and Molecular Orbital Analysis von Valencia, Hubert, Gil, Adrià, Frapper, Gilles

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Prediction of Novel Tin Nitride SnxNy Phases Under Pressure von Wang, Busheng, Larhlimi, Rabii, Valencia, Hubert, Guegan, Frederic, Frapper, Gilles

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Design of metastable oxychalcogenide phases by topochemical (de)intercalation of sulfur in La2O2S2 von Sasaki, Shunsuke, Caldes, Maria Teresa, Guillot-Deudon, Catherine, Braems, Isabelle, Steciuk, Gwladys, Palatinus, Lukáš, Gautron, Eric, Frapper, Gilles, Janod, Etienne, Corraze, Benoît, Jobic, Stéphane, Cario, Laurent

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New developments in the GDIS simulation package: Integration of VASP and USPEX von Okadome Valencia, Hubert, Wang, Busheng, Frapper, Gilles, Rohl, Andrew Lloyd

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Pressure-induced stabilization and insulator-superconductor transition of BH von Hu, Chao-Hao, Oganov, Artem R, Zhu, Qiang, Qian, Guang-Rui, Frapper, Gilles, Lyakhov, Andriy O, Zhou, Huai-Ying

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Emergence of novel hydrogen chlorides under high pressure von Zeng, Qingfeng, Yu, Shuyin, Li, Duan, Oganov, Artem R, Frapper, Gilles

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Barium–Nitrogen Phases Under Pressure: Emergence of Structural Diversity and Nitrogen-Rich Compounds von Huang, Bowen, Frapper, Gilles

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Exploring the Real Ground-State Structures of Molybdenum Dinitride von Yu, Shuyin, Huang, Bowen, Jia, Xiaojing, Zeng, Qingfeng, Oganov, Artem R, Zhang, Litong, Frapper, Gilles

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Physical and chemical assessment of 1,3 Propanediol as a potential substitute of propylene glycol in refill liquid for electronic cigarettes von Bertrand, Philippe, Bonnarme, Vincent, Piccirilli, Antoine, Ayrault, Philippe, Lemée, Laurent, Frapper, Gilles, Pourchez, Jérémie

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Pressure-driven formation and stabilization of superconductive chromium hydrides von Yu, Shuyin, Jia, Xiaojing, Frapper, Gilles, Li, Duan, Oganov, Artem R., Zeng, Qingfeng, Zhang, Litong

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Exploration of stable compounds, crystal structures, and superconductivity in the Be-H system von Yu, Shuyin, Zeng, Qingfeng, Oganov, Artem R., Hu, Chaohao, Frapper, Gilles, Zhang, Litong

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Modulation of Lipid-Induced ER Stress by Fatty Acid Shape von Deguil, Julie, Pineau, Ludovic, Rowland Snyder, Ellen Claire, Dupont, Sébastien, Beney, Laurent, Gil, Adrià, Frapper, Gilles, Ferreira, Thierry

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Pressure-Induced Polymerization of CO2 in Lithium–Carbon Dioxide Phases von Huang, Bowen, Frapper, Gilles

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Acid-Catalyzed Esterification of Betaines: Theoretical Exploration of the Impact of the Carbon Chain Length on the Reaction Mechanism von Moulandou-Koumba, Richail Dubien, Guégan, Frédéric, Ouamba, Jean-Maurille, N’Sikabaka, Samuel, Frapper, Gilles

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Prediction of novel semi-conducting two-dimensional MX phosphides and chalcogenides (M = Zn, Cd; X = P, S, Se) with 5-membered rings von Amaki, Esmail, Mahdavifar, Zabiollah, Frapper, Gilles

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Prediction of novel semi-conducting two-dimensional MX 2 phosphides and chalcogenides (M = Zn, Cd; X = P, S, Se) with 5-membered rings von Amaki, Esmail, Mahdavifar, Zabiollah, Frapper, Gilles

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Prediction of novel semi-conducting two-dimensional MX2 phosphides and chalcogenides (M = Zn, Cd; X = P, S, Se) with 5-membered rings von Amaki, Esmail, Mahdavifar, Zabiollah, Frapper, Gilles

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Pressure-Induced Polymerization of CO 2 in Lithium-Carbon Dioxide Phases von Huang, Bowen, Frapper, Gilles

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Emergence of New Nitrogen-Rich Compounds in Lead–Nitrogen Phase Diagram Under Pressure von Pitié, Sylvain, Niwa, Ken, Frapper, Gilles

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Rational design of 2D Janus P3m1 M2N3 (M = Cu, Zr, and Hf) and their surface-functionalized derivatives: ferromagnetic, piezoelectric, and photocatalytic properties von Zhang, Heng, Guégan, Frédéric, Wang, Junjie, Frapper, Gilles

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