from first principles PP-I-1

PP-III-97 Serov Y.M., Sheshko T.F.Synthesis of Olefins from Carbon Oxides and Hydrogen on Iron-ManganeseNanosystems at Atmospheric Pressure ......................................................................................................... 256PP-III-98 Shilina M.I., Nevskaya S.M., Udalova O.V., Vasilevskii G.Y.Different Catalytic Activity of Zeolites Modified by Transition Metal andAluminum Chloride on Liquid- and Gas-Phase Conversion of Alkanes .................................................... 257PP-III-99 Sidorenko А.Yu., Utenkova D.B., Agabekov V.Е., Sen’kov G.M.Turpentine Isomerization over Nature Catalysts ......................................................................................... 258PP-III-100 Simentsova I.I., Khassin A.A., Minyukova T.P. , Rogov V.A.,Davydova L.P., Yurieva T.M.Impact of Activation Conditions on the State of the Active Cobalt Surfacein Co-Al Catalysts of Fischer-Tropsch Synthesis ......................................................................................... 259PP-III-101 Simonetti S., Rey Saravia F., Canto G.Study of the Hydrogen/Iron- Nickel Catalyst Interactions .......................................................................... 261PP-III-102 Sineva L.V., Ermolaev V.S., Mitberg E.B., Solomonik I.G.,Khatkova E.Yu., Mordkovich V.Z.СО 2 Tolerancy of Highly Productive Composite Fischer–Tropsch Co Catalyst ................................................. 262PP-III-103 Sochagin A.A., Slobodov A.A.Results of Thermodynamic Modeling for Some Catalytic Processes .......................................................... 263PP-III-104 Sokolov S., Stoyanova M., Rodemerck U., Linke D., Kondratenko E.V.Cr, V and Pt in O 2 -Free Propane Dehydrogenation: Who Wins and Why? .............................................. 264PP-III-105 Sokolova N.A., Kuz’min I.V., Subbotina I.R., Zhidomirov G.M.Oligomerization of Ethylene over Ga + /ZSM-5 Zeolite from Diffuse Reflectance IRand Quantum-Chemical Data ........................................................................................................................ 265PP-III-106 Sokolova N.A., Subbotina I.R.Unusual DRIFT Spectrum of Ethane Adsorbed by Mo/Y Zeolite Preparedby CVD Method from Molybdenum Hexacarbonyl..................................................................................... 266PP-III-107 Solomonik I.G., Sineva L.V., Mordkovich V.Z.Identification of Surface Structures Responsible for Activity and Selectivityof Cobalt-Based Catalyst in Fischer-Tropsch Synthesis .............................................................................. 267PP-III-108 Subbotin A.N., Sokolova N.A., Kuz’min I.V., Subbotina I.R., Zhidomirov G.M.,Kazansky V.B.Acidic Properties and Location of Zn Cation in Mordenite by IR Spectroscopyand DFT Simulations via CH 4 Adsorption.................................................................................................... 268PP-III-109 Urdzhuntsev G.A., Anufrienko V.F., Yashnik S.A., Vasenin N.T., Larina Т.V.,Ovchinnikova E.B., Chumachenko V.A., Echevsky G.V.High Active Sulfate-Dopped Zirconium Oxide Catalysts for Skeletal Isomerization of C 4 -C 6Alkanes. Role of Electronic Properties and Surface Acidity in n-Alkane Activation ............................... 269PP-III-110 Ustinov A.Yu., Rudnev V.S., Lukiyanchuk I.V., Tyrina L.M., Vasilyeva M.S.,Ustinova E.A., Chernykh I.V.The Composition, Structure and Catalytic Activity of Some Metal-Oxide PEO-Coatingson Aluminum ................................................................................................................................................... 270PP-III-111 Ustinova E.A., Shcheka O.L., Ustinov A.Yu.Cluster Modeling of Metal Oxide Structures on Al and their Interaction with CO ................................. 271353