1
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Yakovlev A.L.
, Zhidomirov G.M.
, van Santen R.A.
DFT Calculations on N2O Decomposition by Binuclear Fe Complexes in Fe/ZSM-5
The Journal of Physical Chemistry B. 2001.
V.105. N49. P.12297-12302. DOI: 10.1021/jp0108566
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2
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Yakovlev A.L.
, Zhidomirov G.M.
, van Santen R.A.
N2O Decomposition Catalysed by Transition Metal Ions
Catalysis Letters. 2001.
V.75. N1-2. P.45-48. DOI: 10.1023/A:1016692419859
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3
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Shubin A.A.
, Zhidomirov G.M.
, Yakovlev A.L.
, van Santen R.A.
Comparative Quantum Chemical Study of Stabilization Energies of Zn2+ Ions in Different Zeolite Structures
The Journal of Physical Chemistry B. 2001.
V.105. N21. P.4928-4935. DOI: 10.1021/jp004037h
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4
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van Santen R.A.
, Zhidomirov G.M.
, Shubin A.A.
, Yakovlev A.L.
, Barbosa L.A.M.M.
Reactivity Theory of Zinc Cation Species in Zeolites
In compilation
NATO Science Series II: Mathematics, Physics and Chemistry: Catalysis by Unique Metal Ion Structures in Solid Matrices: From Science to Application.
– Kluwer Academic Publishers.,
2001.
– Т.13. – C.187-204. – ISBN 9780792368755. DOI: 10.1007/978-94-010-0782-5_12
РИНЦ
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5
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Yakovlev A.L.
, Shubin A.A.
, Zhidomirov G.M.
, van Santen R.A.
DFT Study of Oxygen-Bridged Zn2+ Ion Pairs in Zn/ZSM-5 Zeolites
Catalysis Letters. 2000.
V.70. N3-4. P.175-181. DOI: 10.1023/A:1018849720636
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РИНЦ
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6
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Yakovlev A.L.
, Zhidomirov G.M.
Quantum Chemical Study of Nitrous Oxide Adsorption and Decomposition on Lewis Acid Sites
Catalysis Letters. 1999.
V.63. N1-2. P.91-95. DOI: 10.1023/A:1019092232161
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7
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Zhidomirov G.M.
, Yakovlev A.L.
, Milov M.A.
, Kachurovskaya N.A.
, Yudanov I.V.
Molecular Models of Catalytically Active Sites in Zeolites. Quantum Chemical Approach
Cheminform. 1999.
V.30. N39. 233
:1-1. DOI: 10.1002/chin.199939233
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8
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Zhidomirov G.M.
, Yakovlev A.L.
, Milov M.A.
, Kachurovskaya N.A.
, Yudanov I.V.
Molecular Models of Catalytically Active Sites in Zeolites. Quantum Chemical Approach
Catalysis Today. 1999.
V.51. N3-4. P.397-410. DOI: 10.1016/S0920-5861(99)00029-2
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9
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Yakovlev A.L.
, Zhidomirov G.M.
, Neyman K.M.
, Nasluzov V.A.
, Roesch N.
Electron-Deficient Palladium Clusters in Zeolites and Their Complexes with Probe CO Molecules. A Density Functional Model Cluster Study
Cheminform. 1996.
V.27. N30. 003
:1-1. DOI: 10.1002/chin.199630003
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10
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Yakovlev A.L.
, Neyman K.M.
, Zhidomirov G.M.
, Rösch N.
Interaction of CO Molecules with Electron-Deficient Pt Atoms in Zeolites: A Density Functional Model Cluster Study
Journal of Physical Chemistry (up to 1996). 1996.
V.100. N9. P.3482-3487. DOI: 10.1021/JP952500Y
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11
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Yakovlev A.L.
, Zhidomirov G.M.
, Neyman K.M.
, Nasluzov V.A.
, Rösch N.
Electron-Deficient Palladium Clusters in Zeolites and Their Complexes with Probe CO Molecules. A Density Functional Model Cluster Study
Berichte der Bunsengesellschaft/Physical Chemistry Chemical Physics. 1996.
V.100. N4. P.413-417. DOI: 10.1002/bbpc.19961000403
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12
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Чернов С.В.
, Рузанкин С.Ф.
, Яковлев А.Л.
Моделирование XANES спектров молибдена для структур NiMoO4 и MoO3 с использованием X α –SW метода
Журнал структурной химии. 1995.
Т.36. №6. С.1004-1011.
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13
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Chernov S.V.
, Ruzankin S.F.
, Yakovlev A.L.
X α -SW Calculation of the XANES Spectra of Molybdenum in NiMoO4 and MoO3 Crystals
Journal of Structural Chemistry. 1995.
V.36. N6. P.918-924. DOI: 10.1007/BF02578549
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