1
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Kachurovskaya N.A.
, Zhidomirov G.M.
, van Santen R.A.
Computational Study of Benzene-to-Phenol Oxidation Catalyzed by N2O on Iron-Exchanged Ferrierite
The Journal of Physical Chemistry B. 2004.
V.108. N19. P.5944-5950. DOI: 10.1021/jp030264i
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2
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Kachurovskaya N.A.
, Zhidomirov G.M.
, van Santen R.A.
Comparative Energies of Zn(II) Cation Localization as a Function of the Distance Between Two Forming Cation Position Aluminium Ions in High-Silica Zeolites
Research on Chemical Intermediates. 2004.
V.30. N1. P.99-103. DOI: 10.1163/156856704322798089
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3
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Kachurovskaya N.A.
, Zhidomirov G.M.
, Hensen E.J.M.
, van Santen R.A.
Cluster Model DFT Study of the Intermediates of Benzene to Phenol Oxidation by N2O on FeZSM-5 Zeolites
Catalysis Letters. 2003.
V.86. N1-3. P.25-31. DOI: 10.1023/A:1022642521434
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4
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Kachurovskaya N.A.
, Mikheeva E.P.
, Zhidomirov G.M.
Cluster Molecular Modeling of Strong Interaction for VOx/TiO2 Supported Catalyst
Journal of Molecular Catalysis A: Chemical. 2002.
V.178. N1-2. P.191-198. DOI: 10.1016/S1381-1169(01)00301-6
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5
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Михеева Э.П.
, Качуровская Н.А.
, Жидомиров Г.М.
Кластерные модели нанесенного катализатора VOx/TiO2
Кинетика и катализ. 2002.
Т.43. №2. С.245-255.
РИНЦ
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6
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Mikheeva E.P.
, Kachurovskaya N.A.
, Zhidomirov G.M.
Cluster Models of the VOx/TiO2 Supported Catalyst
Kinetics and Catalysis. 2002.
V.43. N2. P.223-232. DOI: 10.1023/A:1015372512227
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7
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Kachurovskaya N.A.
, Zhidomirov G.M.
, Minot C.
Periodic DFT Study of Isomorphous Incorporation of a V Ion into (100) and (001) aAnatase Surface Layers
Surface Review and Letters. 2002.
V.9. N3-4. P.1425-1430. DOI: 10.1142/S0218625X02003962
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РИНЦ
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8
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Kachurovskaya N.A.
, Zhidomirov G.M.
, Aristov Y.I.
On the Problem of Differentiation of Acetone Adsorption Species on the Silica Gel: Molecular Models of Adsorption Complexes
Journal of Molecular Catalysis A: Chemical. 2000.
V.158. N1. P.281-285. DOI: 10.1016/S1381-1169(00)00091-1
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9
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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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РИНЦ
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10
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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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11
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Zhidomirov G.M.
, Arbuznikov A.V.
, Yudanov I.V.
, Kachurovskaya N.A.
Quantum Chemical Treatment of Active Sites in Zeolites
Reaction Kinetics and Catalysis Letters. 1996.
V.57. N2. P.263-274. DOI: 10.1007/BF02064741
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12
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Kachurovskaya N.A.
Ab initio Calculations of Chain Branching upon Silane Oxidation with Oxygen
Reaction Kinetics and Catalysis Letters. 1995.
V.54. N2. P.303-312. DOI: 10.1007/BF02071024
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13
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Качуровская Н.А.
, Щеголева Л.Н.
, Плахутин Б.Н.
Структура и стабильность радикала SiH3O2
Журнал структурной химии. 1994.
Т.35. №1. С.25-30.
РИНЦ
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14
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Kachurovskaya N.A.
, Shсhegoleva L.N.
, Plakhutin B.N.
Structure and Stability of the SiH3O2 Radical
Journal of Structural Chemistry. 1994.
V.35. N1. P.21-26. DOI: 10.1007/BF02578497
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