21
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Ruzankin S.P.
, Shubin A.A.
, Kovalʹskii V.Y.
, Zil'berberg I.L.
Analysis of Spin-Polarized Solutions in the Basis Set of Paired Orbitals
Journal of Structural Chemistry. 2016.
V.57. N5. P.997-1014. DOI: 10.1134/S0022476616050218
WOS
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РИНЦ
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22
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Shubin A.A.
, Ruzankin S.P.
, Zilberberg I.L.
, Taran O.P.
, Parmon V.N.
The Routes of Association of (Hydro)oxo centers on Iron Hydroxide at the Water Oxidation Process: DFT Predictions
Chemical Physics Letters. 2015.
V.619. P.126-132. DOI: 10.1016/j.cplett.2014.11.061
WOS
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РИНЦ
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23
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Shubin A.A.
, Ruzankin S.P.
, Zilberberg I.L.
, Parmon V.N.
Distinct Activity of the Oxyl Fe(III) -O Group in the Methane Dissociation by Activated Iron Hydroxide: DFT Predictions
Chemical Physics Letters. 2015.
V.640. P.94-100. DOI: 10.1016/j.cplett.2015.10.016
WOS
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РИНЦ
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24
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Trushin E.V.
, Zilberberg I.L.
Anion-Radical Oxygen Centers in Small (AgO)n Clusters: Density Functional Theory Predictions
Chemical Physics Letters. 2013.
V.560. P.37-41. DOI: 10.1016/j.cplett.2012.12.059
WOS
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РИНЦ
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25
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Трушин Е.В.
, Зильберберг И.Л.
, Булгаков А.В.
Структура и устойчивость малых кластеров оксида цинка
Физика твердого тела. 2012.
Т.54. №4. С.806-812.
РИНЦ
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26
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Trushin E.V.
, Zilberberg I.L.
, Bulgakov A.V.
Structure and Stability of Small Zinc Oxide Clusters
Physics of the Solid State. 2012.
V.54. N4. P.859-865. DOI: 10.1134/S1063783412040294
WOS
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27
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Ruzankin S.P.
, Lyskov I.
, Zilberberg I.L.
Net Spin and Polarization Components of the Spin Density for the Single Determinant in the Basis of Paired Orbitals
International Journal of Quantum Chemistry. 2012.
V.112. N18. P.3052-3058. DOI: 10.1002/qua.24228
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28
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Малыхин С.Е.
, Бурылин М.Ю.
, Бурылин С.Ю.
, Зильберберг И.Л.
Энергетика адсорбции атома As на поверхности Pd(111) по данным теории функционала плотности
Журнал структурной химии. 2011.
Т.52. №6. С.1136-1139.
RSCI
РИНЦ
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29
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Malykhin S.E.
, Burylin M.Y.
, Burylin S.Y.
, Zil'berberg I.L.
Adsorption Energy of the As Atom on the Pd(111) Surface According to the Density Functional Theory Data
Journal of Structural Chemistry. 2011.
V.52. N6. P.1098-1101. DOI: 10.1134/S0022476611060096
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30
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Stukalov D.V.
, Zakharov V.A.
, Zilberberg I.L.
Adsorption Species of Ethyl Benzoate in MgCl2-Supported Ziegler-Natta Catalysts. A Density Functional Theory Study
The Journal of Physical Chemistry C. 2010.
V.114. N1. P.429-435. DOI: 10.1021/jp908551k
WOS
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РИНЦ
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31
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Zilberberg I.
, Ruzankin S.
Paired Orbitals for Different Spins Equations
Journal of Computational Chemistry. 2010.
V.31. N1. P.84-89. DOI: 10.1002/jcc.21294
WOS
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РИНЦ
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32
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Zilberberg I.
, Ruzankin S.P.
Spin-Polarized Self-Consistent-Field Equations for Paired Orbitals
Physical Review A - Atomic, Molecular and Optical Physics. 2010.
V.82. N4. 042505
:1-5. DOI: 10.1103/PhysRevA.82.042505
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РИНЦ
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33
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Stukalov D.V.
, Zilberberg I.L.
, Zakharov V.A.
Surface Species of Titanium(IV) and Titanium(III) in MgCl2-Supported Ziegler-Natta Catalysts. A Periodic Density Functional Theory Study
Macromolecules. 2009.
V.42. N21. P.8165-8171. DOI: 10.1021/ma901413b
WOS
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34
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Isayev O.
, Gorb L.
, Zilberberg I.
, Leszczynski J.
Electronic Structure and Bonding of {Fe(PhNO2)}6 Complexes: A Density Functional Theory Study
The Journal of Physical Chemistry A. 2007.
V.111. N18. P.3571-3576. DOI: 10.1021/jp0668798
WOS
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РИНЦ
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35
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Malykhin S.E.
, Zilberberg I.L.
, Zhidomirov G.M.
Electron Structure of Oxygen Complexes of Ferrous Ion Center
Chemical Physics Letters. 2005.
V.414. N4-6. P.434-437. DOI: 10.1016/j.cplett.2005.08.101
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36
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Zilberberg I.
, Ilchenko M.
, Isayev O.
, Gorb L.
, Leszczynski J.
Modeling the Gas-Phase Reduction of Nitrobenzene to Nitrosobenzene by Iron Monoxide:
A Density Functional Theory Study
The Journal of Physical Chemistry A. 2004.
V.108. N22. P.4878-4886. DOI: 10.1021/jp037351v
WOS
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РИНЦ
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37
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Ruzankin S.P.
, Zilberberg I.
, Zhidomirov G.M.
Closed and Open-Shell Atomic Oxygen on Silver: Two Distinct Patterns of the O1s Binding Energy and X-Ray Absorption
O K-Edge Spectra as Revealed by Density Functional Theory
Research on Chemical Intermediates. 2004.
V.30. N1. P.75-85. DOI: 10.1163/156856704322798061
WOS
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РИНЦ
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38
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Zilberberg I.
, Ruzankin S.P.
Expansion of the Unrestricted Determinant in the Basis of Paired Orbitals
Chemical Physics Letters. 2004.
V.394. N1-3. P.165-170. DOI: 10.1016/j.cplett.2004.06.126
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РИНЦ
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39
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Zilberberg I.L.
, Ruzankin S.F.
, Malykhin S.E.
, Zhidomirov G.M.
Unrestricted Density Functional Theory of the Bonding Between NO Radical and Ferrous Ion
Chemical Physics Letters. 2004.
V.394. N4-6. P.392-396. DOI: 10.1016/j.cplett.2004.06.144
WOS
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РИНЦ
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40
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Zilberberg I.
, Pelmenshhikov A.
, Mcgrath C.J.
, Davis W.M.
, Leszczynska D.
, Leszczynski J.
Reduction of Nitroaromatic Compounds on the Surface of Metallic Iron: Quantum Chemical Study
International Journal of Molecular Sciences. 2002.
V.3. N7. P.801-813. DOI: 10.3390/i3070801
WOS
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