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irmgm2008@ub.edu

 

37th Inorganic Reaction Mechanisms

Group Meeting - 37IRMGM

 

Poster number

 Author

 Title
  1 Varga, Dénes Kinetics and mechanism of the decomposition of tetrathionate ion in alkaline medium.
  2 Kremer, Mordechai Aerobic oxidation of ethanol by Fenton’s reagent.
  3 Rodriguez-Zubiri, Mireia Transition metal-catalysed intermolecular hydroamination of non activated olefins in ionic liquids.
  4 Martínez, Manuel Acidolysis of Rh-C bonds in monometallated dirhodium(II)acetato complexes. Influence of electronic and steric effects.
  5 Castillo, Esther Kinetic and DFTstudies on the formation of Cu(II) complexes with two isomeric protonated pyridinophanes.
  6 Solŕ, Miquel Is the aromaticity of the benzene ring in the (η6-C6H6)Cr(CO)3 complex larger than that of the isolated benzene molecule?
  7 Safont, Vicent Sixte A theoretical study on the reactivity of [W3CuS4H3Cl(dmpe)3]+ in acetonitrile/water mixtures.
  8 Poblete, Francisco Steric effect on aliphatic alcohols oxidations by alkaline hexacyanoferrate(III) catalyzed by by Ru(VI).
  9 Pacheco, A. Andrew Kinetic and product distribution analysis of NO reductase activity in N. europaea hydroxylamine oxidoreductase.
  10 Hynes, Michael J. Anomalously slow rates of reduction of Iron(III) polypyridine complexes, [Fe(N-N)3]3+, by triphenyl verdazyl radicals.
  11 Güell, Mireia Importance of basis set for spin-state energetics of Iron complexes
  12 Osuna Oliveras, Silvia Reactivity profile of C78 fullerenes: Influence of Sc3N encapsulation.
  13 Latour, Jean-Marc Mechanistic investigation of an Iron-mediated tosylamine transfer reaction.
  14 Yukawa, Yasuhiko Greener synthesis of hetero- and poly-nuclear clusters with amino acidato metal complex ligands.
  15 Dachs Soler, Anna Theoretical study of the thermodynamics and kinetics of several Wilkinson-catalyzed cyclotrimerization reactions.
  16 Ujaque, Gregori The reaction mechanism of hydrogen transfers to C=X (X = O,N,C) and C≡C bonds catalyzed by Shvo Ru-complex.
  17 Moncho, Salvador C-H bond activations in alkylaryl ethers using [TpMe2Ir(III)] complexes from a computational viewpoint.
  18 Nova, Ainara Computational analysis of the isomerization mechanism of allylamines to enamines catalyzed by Rhodium.
  19 Lente, Gábor Reactions of the peroxomonosulfate ion with halide ions.
  20 Oresmaa, Larisa Reactions of [Ru(CO)3Cl2]2 with Nitrogen heterocycles in different solvents.
  21 Hessenauer-Ilicheva, Natalya UV-Vis studies on the interaction of m-chloroperoxybenzoic acid and cumene hydroperoxide with a heme-thiolate model complex for Cytochrome P450 in selected solvents.
  22 Dürr, Katharina Nature of the peroxo species of an Fe(III)-porphyrin.
  23 Begel, Svetlana Mechanistic studies on fast ligand substitution reactions in ionic liquids.
  24 Illner, Peter Palladium(II) complexes in ionic liquids: Innocence vs. nucleophilicity.
  25 Hochreuther, Stephanie Synthesis of dinuclear Platinum(II) complexes.
  26 Galajda, Mónika Decomposition and redox reactions of monochloramine in aqueous solution.
  27 García-Melchor, Max The transmetalation step in the Negishi Cross-Coupling reaction from a computational perspective.
  28 Poblador-Bahamonde, Amalia I. Mechanistic analysis of intermolecular aromatic C-H activation.
  29 Gourlaouen, Christophe Oxidative addition of Csp3-X to Palladium, phosphine effects.
  30 Aullón, Gabriel On the mechanism for the cyclopalladation reaction in acidic media.
  31 Rodríguez, Carlos Kinetico-mechanistic study of the oxidation of a dinuclear Co(III)/Fe(II) complex with mononuclear Co(III) complexes: Further formation of trinuclear Co(III)/Fe(II)/Co(III) species.
  32 Purgel, Mihály NMR and DFT study of the intra-molecular rearrangement of aluminium(III)-edta.
  33 Uţă, Matei-Maria Carbon dioxide activation at metallic centers: lessons learned from enzymatic systems.
  34 Escorihuela, Jorge Mechanism of the enantioselective addition of dialkylzinc to aldehydes using chiral tetraaza ligands.
  35 Hernández-Molina, Rita Synthesis and structure studies of palladium-containing cuboidal clusters derived from [W3Se4(H2O)9]4+. Kinetics of the NCS- substitution at the metal sites in [W3PdSe4(H2O)10]4+.
  36 Jaganyi, Deogratius Controlling the extent of π-backbonding in Platinum(II) terpyridyl systems. A detailed kinetic, mechanistic and computational approach.
  37 Gomes, Ana Photochemical studies on arene carbonylation.
  38 López-Serrano, Joaquin Joint DFT and hyperpolarised NMR studies of Palladium and Platinum catalyzed hydrogenations.
  39 García Algarra, Andrés Structural reorganization in penta-coordinate Cu(II) complexes: Kinetic and DFTstudies using a tren-derived ligand.
  40 Máńez, M. Ángeles Kinetic studies on the molecular movements in scorpionates.
  41 Fernández-Trujillo Rey, María Jesús Mechanistic studies on the protonation of the trinuclear complexes [M3S4[(R,R)-Me-BPE)3H3]Br (M = Mo, W and (R,R)-Me-BPE = (+)-1,2-bis-(2R, 5R)-2,5-(dimethylphospholan-1-yl)]ethane).
  42 Basallote, Manuel G. Kinetics of formation and decomposition of Cu(II) complexes with pentadentate pendant-arm macrocyclic ligands.
  43 McCann, Nichola A generalised Lewis acid-base mechanism for CO2 reaction kinetics.
  44 Meyerstein, Dan Mechanisms of the reactions of radicals with peroxides.
  45 Moles, Pamela Molecular recognition in Mn-catalyzed selective C-H oxidation. A theory study.
  45 Saker, Olly Normal and abnormal binding modes of N-heterocyclic carbenes (NHCs) with Ru3(CO)12.
  47 Reade, Steven Ruthenium hydride fluoride complexes with N-heterocyclic carbenes.
  48 Vaněk, Jakub Substitution reactions on M/cyclen aqua complexes by biologically relevant ligands.
  49 Murphy, Emma Determination of the aromatic binding site in Cytochrome c peroxidase.
  50 Chauhan, Nishma The role of Ser167 in human indoleamine 2,3-dioxygenase: A comparison with tryptophan 2,3-dioxygenase.
  51 Cowan, Alexander Spectroscopic investigations into the role of solvents in the mechanism of CO2 reduction by Re(bpy)(CO)3X complexes.
  52 Calladine, James Investigating organometallic alkane complexes via time-resolved infrared spectroscopy: Photochemical generation of a long-lived Rhenium alkane complex.
  53 Easun, Timothy Developing time-resolved single-crystal X-Ray photocrystallography.
  54 Hmadeh, Mohamed Iron(III) uptake mechanism by P. aeruginosa.
  55 Besora, Maria Iron complexes and spin-forbidden reactions.
  56 Polo, Victor Experimental and computational study of the gas-phase dissociation of Mo3S7 clusters bearing 1,2-benzenedithiolate ligands. New insights on the mechanism of ligand-based internal redox processes.
  57 Balcells, David C-H oxidation catalyzed by Mn(tpp)Cl. Mechanistic aspects from a DFT study.
  58 Helmstedt, Ulrike Inert bonds and the ‘CpRh(PR3)’ fragment: a DFT study of coordination and activation.
  59 Fjermestad, Torstein Theoretical studies on the mechanism of the enantioselective discrimination in the Pauson-Khand reaction.
  60 Efimov, Igor Proton delivery in ascorbate peroxidase.