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Articles publicats:
Maria Besora, Feliu Maseras, Agustí Lledós i Odile Eisenstein. Silyl, Hydrido-Silylene, or Other Bonding Modes: Some Unusual Structures of [(dhpe)Pt(SiHR2)]+ (dhpe ) H2PsCH2 sCH2 sPH2;R) H, Me, SiH3, Cl, OMe, NMe2) and [(dhpe)Pt(SiR3)]+ (R ) Me, Cl) from DFT Calculations. Inorg.Chem. 2002, 41, 7105-7112. Eric Clot, Maria Besora, Feliu Maseras, Claire Megret, Odile Eisenstein, Beatriz Oelckers i Robin N. Perutz. Bond energy M C/H C correlations: dual theoretical and experimental approach to the sensitivity of M C bond strength to substituent. Chem. Commun., 2003, 490-491. David Balcells, Gali Drudis- Solé, Maria Besora, Nicole Dölker, Gregori Ujaque, Feliu Maseras i Agustí Lledós Some critical issues in the application of quantum mechanics/ molecular mechanics methods to the study of transition metal complexes. Faraday Discuss., 2003, 124, 429-441. Natalia V. Belkova, Maria Besora, Lina M. Epstein, Agustí Lledós, Feliu Maseras, Elena S. Shubina. Influence of Media and Homoconjugate Pairing on Transition Metal Hydride Protonation. An IR and Dft Study on Proton Transfer to CpRuH(CO)(PCy3). J. Am. Chem. Soc.; (Article); 2003; 125(25); 7715-7725. J. Andrieu, N. V. Belkova, M. Besora, E. Collange, L. M. Epstein, A. Lledós, R. Poli, P. O. Revin, E. S. Shubina, E. V. Vorontsov Hydrogen bonding and proton transfer involving the trihydride complexes Cp*M(dppe)H3 (M = Mo, W) and fluorinated alcohols: the competitive role of the hydride ligands and metal Russ. Chem. Bullet. 2003, 52 (12), 2679-2682. Ekaterina V. Bakhmutova, Vladimir I. Bakhmutov,* Natalia V. Belkova,* Maria Besora, Lina M. Epstein, Agustí Lledós,* Georgii I. Nikonov,* Elena S. Shubina, Jaume Tomàs, Eugenii V. Vorontsov. First Investigation of Non-Classical Dihydrogen Bonding between an Early Transition-Metal Hydride and Alcohols: IR, NMR, and DFT Approach. Chem. Eur. J. 2004, 10, No. 3, 661-671. Basallote, M. G.; Besora, M.; Duran, J.; Fernandez-Trujillo, M. J.; Lledos, A.; Manez, M. A.; Maseras, F. The Effect of the "Inert" Counteranions in the Deprotonation of the Dihydrogen Complex trans-[FeH(2-H2)(dppe)2]+: Kinetic and Theoretical Studies J. Am. Chem. Soc.; 2004; 126(8), 2320 - 2321. Belkova, N.V.; Revin, P.O.; Besora,M.; Baya,M.; Epstein, L.M.; Lledós, A.; Poli, R.; Shubina, E.S.; Vorontsov, E.V. Hydrogen bonding and proton transfer to the trihydride complex [Cp*MoH3(dppe)]: IR, NMR, and theoretical investigations. Europ. J. Inorg. Chem.; 2006; 11, 2192 - 2209. Besora, M.; Maseras, F.; McGrady, J.E.; Oulié, P; Dinh, D.H.; Duhayon, C.; Etienne, M. Structure and bonding in a cyclobutyl tris(pyrazolyl)boratoniobium complex and trends in agostic behaviour in the series TpMe2NbCl(c-CnH2n-1)(MeC?CMe), n = 3-6. Dalton Trans., 2006, 2362-2367. Besora, M.; Maseras, F.; Lledos, A.; Eisenstein, O. Silyl, hydrido silylene or alternative bonding modes: The many possible structures of [(C5H5)(PH3)IrX](+) (X = SiHR2 and SiR3; R = H, CH3, SiH3, and Cl) Organometallics, 2006,25 (20): 4748-4755. |
Esteu interessats en fullejar la meva tesi?
Aqui en teniu un exemplar. Participació a Congresos: XVII Reunió de la Xarxa de Química Teòrica i Computacional, 4 - 5 juliol 2001, Tarragona. 6th FIGIPS MEETING IN INORGANIC CHEMISTRY, 15-20 juliol 2001, Barcelona. Dihydrogen bonding and Proton Transfer to CpRuH(CO)(PCy3). ESCR, Electronic Structure and Chemical Reactivity, 19 - 22 Setembre 2001, Bellaterra. JFJPC-6 6émes Journées Francophones des Jeunes Physico-Chimistes, 3-5 juliol 2002, Marseille (França). Étude computationelle de complexes de platine avec des ligands silyle: silyle, hydrure silylène ou ... ? 225th ACS National Meeting, New Orleans, LA, United States, març 23-27, 2003. New look at metal-carbon/metal-hydrogen bond energy correlations: Theoretical predictions and experimental tests. FD124 Quantum Inorganic Chemistry, 14-16 abril 2003, York (Gran Bretanya). Unusual Structures of [M]-SiHR2. XIX Reunió de la Xarxa de Química Teòrica i Computacional, 17 - 18 juny 2003, Girona. "Silils, hidrurs sililens i alguna cosa més" III Trobada de Joves Investigadors dels Països Catalans, 26 -27 gener 2004, Tarragona. "Efecte dels contraions en la ruptura heterolítica de l'enllaç H-H" EURESCO: Inorganic Chemistry, New Theoretical and Spectroscopical Approaches to Inorganic Chemistry Problems, 4-9 Septembre 2004, Sant Feliu de Guixols. Factors Governing the Proton Transfer to Transition Metal Hydride Complexes. XXI Reunió de la Xarxa de Química Teòrica i Computacional, 11 - 12 juliol 2005, Bellaterra. HYDROCHEM MEETING, 14-14 septembre 2005, Camerino (Itàlia). "A Computational Look to the Protonation Sites: the Proton Transfer to Cp*MoH3(dppe)" |