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 TitleAuthors / EditorsDate
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 Large resistivity reduction in mixed-valent CsAuBr3 under pressure Naumov, Pavel; Huangfu, Shangxiong; Wu, Xianxin; Schilling, Andreas; ... von Rohr, Fabian 2019
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 Triggering Emission with the Helical Turn in Thiadiazole-Helicenes Biet, Thomas; Martin, Kévin; Hankache, Jihane; Hellou, Nora; ... Avarvari, Narcis 2017
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 Physicochemical and Electronic Properties of Cationic [6]Helicenes: from Chemical and Electrochemical Stabilities to Far-Red (Polarized) Luminescence Bosson, Johann; Labrador Beltran, Maria Géraldine; Pascal, Simon; Miannay, François-Alexandre; ... Lacour, Jérôme 2016
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 A Highly Effective Ruthenium System for the Catalyzed Dehydrogenative Cyclization of Amine-Boranes to Cyclic Boranes under Mild Conditions Wallis, Christopher J.; Alcaraz, Gilles; Petit, Alban S.; Poblador Bahamonde, Amalia Isabel; ... Sabo-Etienne, Sylviane 2015
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 Nonuniform Continuum Model for Solvatochromism Based on Frozen-Density Embedding Theory Shedge, Sapana; Wesolowski, Tomasz Adam 2014
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 A Spectroscopic and Computational Study of a Photoinduced Cross-Dehydrogenative Coupling Reaction of a Stable Semiquinone Radical Grilj, Jakob; Todorova, Tanya Kumanova; Yi, Chenyi; Liu, Shi-Xia; ... Decurtins, Silvio 2012
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 Assessing Metal-Metal Multiple Bonds in Cr-Cr, Mo-Mo, and W-W Compounds and a Hypothetical U-U Compound: A Quantum Chemical Study Comparing DFT and Multireference Methods Li Manni, Giovanni; Dzubak, Allison L.; Mulla, Abbas; Brogden, David W.; ... Gagliardi, Laura 2012
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 The cis-[RuII(bpy)2(H2O)2]2+ Water-Oxidation Catalyst Revisited Sala, Xavier; Ertem, Mehmed Z.; Vigara, Laura; Todorova, Tanya K.; ... Llobet, Antoni 2010
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 Al3Li4(BH4)13: A Complex Double-Cation Borohydride with a New Structure Lindemann, Inge; Ferrer, Roger Domènech; Dunsch, Lothar; Filinchuk, Yaroslav; ... Gutfleisch, Oliver 2010
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 Co-adsorption patterns of NH3 on Si(001): Comment on “The ordering of the adsorbed NH3 molecules across the Si dimer rows on the Si(001) surface” Owen, James; Bowler, D. R. 2008
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 Ab initio static and molecular dynamics study of 4-styrylpyridine: Structure, energy and reactivity of the cis and trans isomers in the ground state Lawson Daku, Latevi Max; Linares, Jorge; Boillot, Marie-Laure 2007
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 Enantiodiscrimination between an N-acetyl-L-cysteine SAM and proline: an in situ spectroscopic and computational study Bieri, Marco; Buergi, Thomas 2006
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 Photoswitching of the Dielectric Constant of the Spin-Crossover Complex [Fe(L)(CN)2]H2O Bonhommeau, Sébastien; Guillon, Thomas; Lawson Daku, Latevi Max; Demont, Philippe; ... Bousseksou, Azzedine 2006
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 Formation and Structure of a Stable Monoradical Cation by Reduction of a Diphosphafulvenium Salt Biaso, Frédéric; Cantat, Thibault; Mézailles, Nicolas; Ricard, Louis; ... Geoffroy, Michel 2006
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 A Quantum Chemical Study of the Quintuple Bond between Two Chromium Centers in [PhCrCrPh]: trans-Bent versus Linear Geometry Brynda, Marcin; Gagliardi, Laura; Widmark, Per-Olof; Power, Philip P.; Roos, Björn O. 2006
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 Mechanism of Nitrate Reduction by Desulfovio desulfuricans Nitrate Reductase - A Theoretical Investigation Leopoldini, Monica; Russo, Nino; Toscano, Marirosa; Dulak, Marcin; Wesolowski, Tomasz Adam 2006
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 Quantum Chemical Calculations Predict the Diphenyl Diuranium Compound [PhUUPh] To Have a Stable 1Ag Ground State La Macchia, Giovanni; Brynda, Marcin; Gagliardi, Laura 2006
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 Assessment of Density Functionals for the High-Spin/Low-Spin Energy Difference in the Low-Spin Iron(II) Tris(2,2'-bipyridine) Complex Lawson Daku, Latevi Max; Vargas, Alfredo; Hauser, Andreas; Fouqueau, Antony; Casida, Mark Earl 2005
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 Synthesis and Stereochemical Properties of Chiral Square Complexes of Iron(II) Bark, Thomas; von Zelewsky, Alexander; Rappoport, Dmitrij; Neuburger, Markus; ... Jodry, Jonathan 2004
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 Effect of Conformational Changes on a One-Electron Reduction Process: Evidence of a One-Electron PP Bond Formation in a Bis(phosphinine) Choua, Sylvie; Dutan, Cosmina; Cataldo, Laurent; Berclaz, Théo; ... Le Floch, Pascal 2004
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