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1
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Laletina S.S.
, Mamatkulov M.
, Shor A.M.
, Shor E.A.
, Kaichev V.V.
, Yudanov I.V.
Size and Structure Effects on Platinum Nanocatalysts: Theoretical Insights from Methanol Dehydrogenation
Nanoscale. 2022.
V.14. P.4145-4155. DOI: 10.1039/d1nr07947f
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2
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Mamatkulov M.
, Yudanov I.V.
, Bukhtiyarov A.V.
, Neyman K.M.
Pd Single-Atom Sites on the Surface of PdAu Nanoparticles: A DFT-Based Topological Search for Suitable Compositions
Nanomaterials. 2021.
V.11. N1. 122
:1-17. DOI: 10.3390/nano11010122
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3
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Mamatkulov M.
, Yudanov I.V.
, Bukhtiyarov A.V.
, Prosvirin I.P.
, Bukhtiyarov V.I.
, Neyman K.M.
Pd Segregation on the Surface of Bimetallic PdAu Nanoparticles Induced by Low Coverage of Adsorbed CO
The Journal of Physical Chemistry C. 2019.
V.123. N13. P.8037-8046. DOI: 10.1021/acs.jpcc.8b07402
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4
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Laletina S.S.
, Mamatkulov M.
, Shor E.A.
, Kaichev V.V.
, Genest A.
, Yudanov I.V.
, Rösch N.
Size-Dependence of the Adsorption Energy of CO on Pt Nanoparticles: Tracing Two Intersecting Trends by DFT Calculations
The Journal of Physical Chemistry C. 2017.
V.121. N32. P.17371-17377. DOI: 10.1021/acs.jpcc.7b05580
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5
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Лалетина С.С.
, Шор Е.А.
, Маматкулов М.И.
, Юданов И.В.
, Каичев В.В.
, Бухтияров В.И.
Теоретическое исследование дегидрирования метанола на нанокластере платины
Журнал Сибирского федерального университета. Серия: Химия (Journal of Siberian Federal University. Chemistry). 2016.
Т.9. №4. С.430 - 442. DOI: 10.17516/1998-2836-2016-9-4-430-442
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6
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Marchal R.
, Yudanov I.V.
, Matveev A.V.
, Rösch N.
Scalable Properties of Metal Clusters: A Comparative DFT Study of Ionic-Core Treatments
Chemical Physics Letters. 2013.
V.578. P.92-96. DOI: 10.1016/j.cplett.2013.05.063
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7
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Yudanov I.V.
, Genest A.
, Schauermann S.
, Freund H-J.
, Rösch N.
Size Dependence of the Adsorption Energy of CO on Metal Nanoparticles: A DFT Search for the Minimum Value
Nano Letters. 2012.
V.12. N4. P.2134-2139. DOI: 10.1021/nl300515z
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8
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Yudanov I.V.
, Genest A.
, Rösch N.
DFT Studies of Palladium Model Catalysts: Structure and Size Effects
Journal of Cluster Science. 2011.
V.22. N3. P.433-448. DOI: 10.1007/s10876-011-0392-4, 10.1002/chin.201208226
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9
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Наслузов В.А.
, Иванова-Шор Е.А.
, Шор А.М.
, Юданов И.В.
, Рёш Н.
Моделирование гетерогенных катализаторов и каталитических процессов методом функционала плотности
Кинетика и катализ. 2010.
Т.51. №6. С.859-870.
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10
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Nasluzov V.A.
, Ivanova-Shor E.A.
, Shor A.M.
, Yudanov I.V.
, Rösch N.
Simulation of Heterogeneous Catalysts and Catalytic Processes Using the Density Functional Method
Kinetics and Catalysis. 2010.
V.51. N6. P.832-842. DOI: 10.1134/S0023158410060091
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11
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Yudanov I.V.
, Neyman K.M.
Stabilization of Au at Edges of Bimetallic PdAu Nanocrystallites
PCCP: Physical Chemistry Chemical Physics. 2010.
V.12. N19. P.5094-5100. DOI: 10.1039/b927048e
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12
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Fischer-Wolfarth J-H.
, Farmer J.A.
, Flores-Camacho J.M.
, Genest A.
, Yudanov I.V.
, Rösch N.
, Campbell C.T.
, Schauermann S.
, Freund H-J.
Particle-Size Dependent Heats of Adsorption of CO on Supported Pd Nanoparticles as Measured with a Single-Crystal Microcalorimeter
Physical Review B, Condensed Matter and Materials Physics (up to 2016). 2010.
V.81. N24. 241416(R)
:1-4. DOI: 10.1103/PhysRevB.81.241416
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13
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Yudanov I.V.
Mechanism of Olefin Epoxidation with Transition Metal Peroxo Complexes: DFT Study
Cheminform. 2009.
V.40. N10. 275
:1-1. DOI: 10.1002/chin.200910275
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14
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Lim K.H.
, Mohamed A.B.
, Yudanov I.V.
, Neyman K.M.
, Bron M.
, Claus P.
, Rösch N.
Mechanism of Selective Hydrogenation of α,β-Unsaturated Aldehydes on Silver Catalysts: A Density Functional Study
The Journal of Physical Chemistry C. 2009.
V.113. N30. P.13231-13240. DOI: 10.1021/jp902078c
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15
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Kozlov S.M.
, Yudanov I.V.
, Aleksandrov H.A.
, Rösch N.
Theoretical Study of Carbon Species on Pd(111): Competition Between Migration of C Atoms to the Subsurface Interlayer and Formation of Cn Clusters on the Surface
PCCP: Physical Chemistry Chemical Physics. 2009.
V.11. N46. P.10955-10963. DOI: 10.1039/b916855a
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16
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Mohammad A.B.
, Yudanov I.V.
, Lim K.H.
, Neyman K.M.
, Rösch N.
Hydrogen Activation on Silver: A Computational Study on Surface and Subsurface Oxygen Species
The Journal of Physical Chemistry C. 2008.
V.112. N5. P.1628-1635. DOI: 10.1021/jp0765190
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17
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Yudanov I.V.
, Metzner M.
, Genest A.
, Rösch N.
Size-Dependence of Adsorption Properties of Metal Nanoparticles: A Density Functional Study on Palladium Nanoclusters
The Journal of Physical Chemistry C. 2008.
V.112. N51. P.20269-20275. DOI: 10.1021/jp8075673
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18
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Yudanov I.V.
, Matveev A.V.
, Neyman K.M.
, Rösch N.
How the C-O Bond Breaks during Methanol Decomposition on Nanocrystallites of Palladium Catalysts
Journal of the American Chemical Society. 2008.
V.130. N29. P.9342-9352. DOI: 10.1021/ja078322r
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19
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Юданов И.В.
Механизм эпоксидирования олефинов пероксокомплексами переходных элементов по результатам исследований методом функционала плотности
Журнал структурной химии. 2007.
Т.48. №7. С.S117-S131. RSCI
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20
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Mohammad A.B.
, Lim K.H.
, Yudanov I.V.
, Neyman K.M.
, Rösch N.
A Computational Study of H2 Dissociation on Silver Surfaces: The Effect of Oxygen in the Added Row Structure of Ag(110)
PCCP: Physical Chemistry Chemical Physics. 2007.
V.9. N10. P.1247-1254. DOI: 10.1039/b616675j
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