from first principles PP-I-1

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POSTER PRESENTATIONSSection I. Catalysis: from first principlesPP‐I‐1 PP‐I‐14Section II. Mechanisms of homogeneous catalysisPP‐II‐1 PP‐II‐20Section III. Mechanisms of heterogeneous catalysisPP‐III‐1 PP‐III‐123Section IV. Catalytic processing of renewablesPP‐IV‐1 PP‐IV‐24Section V. Electrocatalysis, photocatalysis, biocatalysisPP‐V‐1 PP‐V‐15
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CONFERENCE ORGANIZERS Boreskov Inst
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INTERNATIONAL ADVISORY BOARDHonorab
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PL-1Elucidating the Mechanism of He
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PL-3Bio-Inspired Hydrocarbon Oxidat
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PL-5From Mechanistic and Kinetic Un
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KL-1The Mechanism of the Fischer-Tr
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KL-2Catalysis from First Principles
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Mechanistic Aspects of Hydrogenatio
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KL-6Understanding Thermal and Photo
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KL-7Transition-Metal-Catalyzed Carb
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KL-8Selective Oxidation Catalysis w
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ORAL PRESENTATIONSSection I. Cataly
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OP-I-2Computational Insights into A
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OP-I-4Theoretical Insight on Cataly
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OP-I-6Self-Induced Electric Fields
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OP-II-1Direct Synthesis of Dimethyl
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OP-II-3Mechanism for the Reduction
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OP-II-5Mechanisms of Catalytic Reac
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OP-II-7Catalytic Conversion of Phen
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OP-III-1Mechanism of CH 4 Dry Refor
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OP-III-3Sulphur Ageing Mechanisms o
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OP-III-5Effect of Carbonization on
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OP-III-7A Single Model of Oscillati
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OP-III-9In Situ X-ray Studies of Mo
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OP-III-11Decomposition and Oxidatio
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OP-III-13Heterogeneous Hydrogenatio
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OP-III-15Mechanistic Studies on the
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OP-III-17Catalysis of Organic React
Page 63 and 64: OP-III-19Comparative Studies of Pd,
Page 65 and 66: OP-III-20Reactivity of Methoxy Spec
Page 67 and 68: OP-III-22Dehydration of Glycerol ov
Page 69 and 70: OP-III-24Catalytic Purification of
Page 71 and 72: OP-III-26Influence of the Hydrogen
Page 73 and 74: OP-III-28Mechanism of Low-Temperatu
Page 75 and 76: OP-III-30Mechanistic and Kinetic St
Page 77 and 78: OP-III-32Solid State Isotope Exchan
Page 79 and 80: OP-IV-2Deoxygenation of Biomass-Der
Page 81 and 82: OP-IV-4Ketonization of Valeric Acid
Page 83 and 84: OP-IV-520 ºC but its selectivity i
Page 85 and 86: OP-V-2Reaction Mechanism of Selecti
Page 87 and 88: OP-V-4Design of the Nanocrystalline
Page 89 and 90: OY-II-1The Role of Monovalent Nicke
Page 91 and 92: OY-II-3Highly Efficient, Regioselec
Page 93 and 94: OY-II-5Radical Processes Catalysed
Page 95 and 96: OY-III-1Methane Activation and Conv
Page 97 and 98: OY-III-3Unusually Active Nanostruct
Page 99 and 100: OY-III-5Studying the Influence of P
Page 101 and 102: OY-III-7Bimetallic Catalysts of Sel
Page 103 and 104: OY-IV-1Modeling of Associated Petro
Page 105 and 106: OY-IV-3Biomass Derived Lignan Hydro
Page 107 and 108: OY-IV-5Could Calcination Temperatur
Page 109 and 110: OY-IV-7Novel Catalysts for Bio-Fuel
Page 111 and 112: OY-V-2Ultrasonically Designed Metal
Page 113: OY-V-4Cu-Cr 2 O 3 -Al 2 O 3 Catalys
Page 117 and 118: PP-I-1The use of parallelism in sol
Page 119 and 120: PP-I-3Mechanism Investigation of th
Page 121 and 122: PP-I-5Mathematical Modeling of Reac
Page 123 and 124: PP-I-6activation barriers for the r
Page 125 and 126: PP-I-8Allylbenzene Double-Bond Migr
Page 127 and 128: PP-I-10Ethylene to Benzene Catalyti
Page 129 and 130: PP-I-12Thermodynamic Studying of Ca
Page 131 and 132: PP-I-14Fractal Approach to Acid-Bas
Page 133 and 134: PP-II-2Chemistry Carbcations: β-Me
Page 135 and 136: PP-II-3Isobutylalumoxanes as Effect
Page 137 and 138: PP-II-5Mechanistic Scenarios for Ho
Page 139 and 140: PP-II-71 H NMR Study of Activation
Page 141 and 142: PP-II-9UV-Visible Spectroscopic Stu
Page 143 and 144: PP-II-11Selectivity of the Nickel (
Page 145 and 146: PP-II-13The Role of Complex Aluminu
Page 147 and 148: PP-II-15NMR Spectroscopic Trapping
Page 149 and 150: PP-II-17Nickel-Mediated Cross-Coupl
Page 151 and 152: PP-II-19Modeling of Tetraisobutylal
Page 153 and 154: PP-III-1Low-Level Hydrocracking of
Page 155 and 156: PP-III-3The Mechanism and the Optim
Page 157 and 158: PP-III-5The Catalytic Oxidation of
Page 159 and 160: PP-III-7Acid-Base Properties of Zn,
Page 161 and 162: PP-III-9Research of Activity of the
Page 163 and 164: PP-III-11Heterogenization of Wacker
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PP-III-13Isoquinoline Derivatives v
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PP-III-15Supported Heteropoly Acids
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PP-III-17Sulfur-Promotion in Conjug
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PP-III-19Hydrotalcite-Like Catalyti
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PP-III-21Mechanism of Hydrogen Oxid
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PP-III-22Mathematical Modelling of
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PP-III-24The Study of Adsorption of
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PP-III-26Study of the Liquid-Phase
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PP-III-28Influence of Support Treat
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PP-III-30Interaction of Single Meta
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PP-III-32Promoting Mechanism by Fe
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PP-III-34Studies of the Thermal Dec
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PP-III-36Hydrogen Assisted Growth o
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PP-III-38Graphene as a Matrix for C
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PP-III-40Regularities of Formation
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PP-III-42Catalytic Behavior of Deco
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PP-III-43XPS and STM Studies of Oxi
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PP-III-45Au-Ni Synergism in the Alu
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PP-III-47Doped Apatite-Type Lanthan
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PP-III-49An Efficient Nenitzescu In
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PP-III-51The Concept of Interlayer
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PP-III-52Synthesis of Catalysts for
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PP-III-54Aromatization of Methane o
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PP-III-56Transformation n-Hexane on
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PP-III-58Kinetic Features of the Hy
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PP-III-60Mechanism of NO-SCR with M
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PP-III-62Ethanol and CO Oxidation o
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PP-III-64Ceria-Induced, Sb-Promoted
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PP-III-66Platinum-Nickel Catalyst f
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PP-III-68Non-Steady-State Kinetics
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PP-III-70Decomposition and Steam Re
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PP-III-71New Approaches for Study o
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PP-III-73Effect of B-Cation Substit
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PP-III-75Influence of the ZrO 2 Pha
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PP-III-76Mechanism of Catalytic Eli
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PP-III-77Both reactions occur via a
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PP-III-79The Nature of Synergistic
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PP-III-81Influence of the Way of Ac
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PP-III-83Mechanism of Butadiene Het
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PP-III-85MgAlY Layered Double Hydro
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PP-III-87Study of the Mechanism of
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PP-III-89Oxygen Isotope Exchange of
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PP-III-90In case of Na 3 ZrM(PO 4 )
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PP-III-92Effects of Nanostructuring
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PP-III-93Direct Synthesis of Hydrog
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PP-III-95Soot Combustion in DPFs Ca
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PP-III-97Synthesis of Olefins from
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PP-III-99Turpentine Isomerization o
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PP-III-100Table 1. The specific sur
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PP-III-102СО 2 Tolerancy of Highl
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PP-III-104Cr, V and Pt in O 2 -Free
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PP-III-106Unusual DRIFT Spectrum of
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PP-III-108Acidic Properties and Loc
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PP-III-110The Composition, Structur
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PP-III-112Chemisorption and Oxidati
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PP-III-114Peculiarities of Ethane A
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PP-III-116Theoretical Calculation o
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PP-III-117quantity of mesopores and
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PP-III-119Atomic Layer Deposition f
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PP-III-121Catalysis on Zeolites: So
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PP-III-123One-Pot Hydrodebenzylatio
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PP-IV-2Transition Metal Peroxo Comp
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PP-IV-4The Selectivity of Methyl Pa
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PP-IV-6Application of the Concept o
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PP-IV-8Conversion of n-Paraffins Us
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PP-IV-10Novel Nanostructured Fe-, C
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PP-IV-12Catalytic Hydrolysis of Amm
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PP-IV-14Radiative Decay of Freshly
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PP-IV-16Hydroisomerization of Catal
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PP-IV-17Control of Metal Dispersion
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PP-IV-19Methane Auto-Thermal Reform
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PP-IV-21Mechanistic Study of Reacti
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PP-IV-23On the Role of Mass-Transfe
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PP-V-1Electrocatalytic Oxidation of
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PP-V-3Dioxo-Mo(VI) - Complexes Anch
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PP-V-5Photocatalytic Synthesis of B
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PP-V-7New Photocatalysts Based on C
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PP-V-9Electrocatalytic Detection of
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PP-V-11Photocatalytic Degradation a
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PP-V-13Mathematical Modelling of Ph
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PP-V-15Fuel Cells Powered by HPAs:
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BERLIER GloriaUniversità di Torino
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FOKIN Valery V.Scripps Research Ins
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KONUSPAYEV SaparkaliAl-Farabi Kazak
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MIERCZYNSKI PawelLodz University of
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RÖSCH NotkerTechnische Universitae
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TOMELLINI MassimoUniversity of Rome
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ContentPLENARY LECTURES ...........
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OP-II-7 Yang Y.C., Zhou Z.H.Catalyt
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OP-III-29 Tálas E., Margitfalvi J.
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OY-IV-2 Skobelev I.Y., Sorokin A.B.
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PP-II-8 Farzaliev R., Nasirov F., M
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PP-III-18 Çınar T., Altınçekiç
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PP-III-48 Kibalnikova O.V.Nanosize
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PP-III-81 Nizovskii A.I., Kalinkin
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PP-III-112 Vanag S.V., Zagoruiko A.
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PP-IV-19 Palma V., Ricca A., Ciambe
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IX International Conference“Mecha
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from first principles PP-I-1

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