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Versatile Coordination of 2-Pyridinetetramethyldisilazane at Ruthenium: Ru(II) vs Ru(IV) As Evidenced by NMR, X-ray, Neutron, and DFT Studies Grellier M, Ayed T, Barthelat JC, Albinati A, Mason S, Vendier L, Coppel Y, Sabo-Etienne S Journal of the American Chemical Society, 131(22), 7633, 2009 |
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Revisiting the nature of the ZnO ground state: Influence of spin-orbit coupling Boughdiri S, Tangour B, Teichteil C, Barthelat JC, Leininger T Chemical Physics Letters, 462(1-3), 18, 2008 |
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Theoretical study of specific hydrogen-bonding effects on the bridging P-OR bond strength of phosphate monoester dianions Iche-Tarrat N, Barthelat JC, Vigroux A Journal of Physical Chemistry B, 112(10), 3217, 2008 |
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Synthesis and theoretical study of a series of dipalladium(I) complexes containing the Pd-2(mu-CO)(2) core Baig S, Richard B, Serp P, Mijoule C, Hussein K, Guihery N, Barthelat JC, Kalck P Inorganic Chemistry, 45(5), 1935, 2006 |
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Theoretical studies of the hydroxide-catalyzed P-O cleavage reactions of neutral phosphate triesters and diesters in aqueous solution: Examination of the changes induced by H/Me substitution Iche-Tarrat N, Barthelat JC, Rinaldi D, Vigroux A Journal of Physical Chemistry B, 109(47), 22570, 2005 |
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Reactivity of phosphate monoester monoanions in aqueous solution. 2. A theoretical study of the elusive zwitterion intermediates RO+(H)PO32- Bianciotto M, Barthelat JC, Vigroux A Journal of Physical Chemistry A, 106(27), 6521, 2002 |
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Reactivity of phosphate monoester monoanions in aqueous solution. 1. Quantum mechanical calculations support the existence of "anionic zwitterion" MeO+(H)PO3 (2-) as a key intermediate in the dissociative hydrolysis of the methyl phosphate anion Bianciotto M, Barthelat JC, Vigroux A Journal of the American Chemical Society, 124(25), 7573, 2002 |
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Effective group potentials. 1. Method Poteau R, Ortega I, Alary F, Solis AR, Barthelat JC, Daudey JP Journal of Physical Chemistry A, 105(1), 198, 2001 |
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Effective group potentials. 2. Extraction and transferability for chemical groups involved in covalent or donor-acceptor bonds Poteau R, Alary F, Abou El Makarim H, Heully JL, Barthelat JC, Daudey JP Journal of Physical Chemistry A, 105(1), 206, 2001 |
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A unique coordination of SiH4: Isolation, characterization, and theoretical study of (PR3)(2)H2Ru(SiH4)RuH2(PR3)(2) Atheaux I, Donnadieu B, Rodriguez V, Sabo-Etienne S, Chaudret B, Hussein K, Barthelat JC Journal of the American Chemical Society, 122(23), 5664, 2000 |