from first principles PP-I-1

PP-I-7 Molinari E., Tomellini M.On the Role of Energy Distribution Functions of the Ad-Atoms in RecombinativeAdsorption at Catalytic Surfaces ................................................................................................................... 123PP-I-8 Mukhamedzyanova D.F., Pichugina D.A., Kuz’menko N.E.Allylbenzene Double-Bond Migration in Gold-Containing Catalytic Systems: DFT Study ..................... 124PP-I-9 Nikitenko N.G., Shestakov A.F.Quantum Chemical Study of C-H Bond Activation in Methane and Methanolby Au(I) Complexes with Quercetin under Mild Conditions ...................................................................... 125PP-I-10 Shamov A.G., Khrapkovskii G.M., Isakov D.R., Shamov G.A.Ethylene to Benzene Catalytic Transformation Mechanism Performed at Nanoclusterof Platinum Pt 4 Based on the Results of Quantum-Chemical Computations ............................................ 126PP-I-11 Shamov A.G., Nikolaeva E.V., Tsyshevsky R.V., Khrapkovskii G.M.Catalytic Transformations During Thermal Decomposition of Some AliphaticNitro Compounds ............................................................................................................................................ 127PP-I-12 Slobodov A.A., Sochagin A.A., Radin M.A., Trenina M.V.Thermodynamic Studying of Catalyst Processes and Systems – Possibilities and Efficiency .................. 128PP-I-13 Snyga Y.G., Beletskaya A.V., Pichugina D.A., Kuz'menko N.E.Quantum-Chemical Investigation of Structural Effects of Ag 20 in Propylene Epoxidation ..................... 129PP-I-14 Srtizhak P.E., Vlasenko N.V., Kochkin Yu.N., Tripolsky A.I., Serebrii T.G., Gurnik T.N.Fractal Approach to Acid-Base Heterogeneous Catalysis ........................................................................... 130Section II. Mechanisms of homogeneous catalysisPP-II-1 Antonov A.A., Semikolenova N.V., Zakharov V.A., Zhang W.,Wang Y., Sun W.-H. Talsi E.P., Bryliakov K.P.New Bis(imino)pyridine Nickel Catalysts: Polymerization of Norbornene andInvestigation of the Active Species ................................................................................................................. 131PP-II-2 Bagrii E.I.Chemistry Carbcations: β-Methyl Shift – a New Rearrangementof the Carbcations Bridged Alicyclic Hydrocarbons ................................................................................... 132PP-II-3 Bravaya N.M., Faingol’d E.E., Babkina O.N., Saratovskikh S.L.,Panin A.N., Fushman E.A.Isobutylalumoxanes as Effective Activators of Dimethylated Zirconocenesin Propylene Polymerization .......................................................................................................................... 134PP-II-4 Budanov B.A., Dalidchik F.I., Kolchenko N.N.A Role of Hydroxyl Group in Tunnelling Spectroscopy of Heteropoly Acid Catalysts ............................ 135PP-II-5 Chepaikin E.G., Bezruchenko A.P., Menchikova G.N.,Moiseeva N.I., Gekhman A.E.Mechanistic Scenarios for Homogeneous Catalytic Alkanes Oxidation ..................................................... 136PP-II-6 Chepaikin E.G., Bezruchenko A.P., Noskov Yu.G.Water-Gas Shift Reaction Catalyzed by Water Soluble Pd Complexes:Kinetics and Mechanism ................................................................................................................................ 137PP-II-7 Faingol’d E.E., Babkina O.N., Zharkov I.V., Bravaya N.M.1 H NMR Study of Activation of Dimethylated 2-Substituted Bisindenyl Zirconocenes withTriisobutylaluminum and Isobutylalumoxanes in Polymerization of Hexene-1 ....................................... 138345