Zilberberg Igor Leonidovich

Identifiers

ResearcherID: L-5417-2013 , AAH-5266-2019

Elibrary ID: 43101

Scopus ID: 6602456763 , 35229752800 , 55389146000

ORCID: 0000-0002-6976-1014

Affiliations

#	Name	Period	Items
1	Boreskov Institute of Catalysis SB RAS	1992 - 2021	105
2	Novosibirsk National Research University	2010 - 2021	32
3	Institute of Solid State Chemistry and Mechanochemistry SB RAS	2021	2
4	Jackson State University	2002	2
5	Wroclaw University of Science and Technology	2002	1

Science activity

Articles in journal - 52 , Articles in compilations - 1 , Conference theses - 5 , Conference attendances - 10

Articles in journal (52) More info

1	Shubin A.A. , Zilberberg I.L. Entropy Driven Preference for Alkene Adsorption at the Pore Mouth as the Origin of Pore-Mouth Catalysis for Alkane Hydroisomerization in 1D Zeolites Catalysis Science and Technology. 2021. V.11. N2. P.563-574. DOI: 10.1039/d0cy01485k WOS Scopus РИНЦ
2	Shubin A.A. , Kovalskii V.Y. , Ruzankin S.P. , Zilberberg I.L. , Parmon V.N. , Tomilin F.N. , Avramov P.V. The FeIV-O• Oxyl Unit as a Key Intermediate in Water Oxidation on the FeIII-Hydroxide: DFT Predictions International Journal of Quantum Chemistry. 2021. V.121. N10. e26610 :1-9. DOI: 10.1002/qua.26610 WOS Scopus РИНЦ
3	Ovchinnikov D.A. , Ruzankin S.F. , Kovalskii V.Y. , Zilberberg I.L. Projection of Single-Determinant Solutions of Spin-Polarized Self-Consistent Field Equations in the Basis Set of Spin-Paired Orbitals Journal of Structural Chemistry. 2021. V.62. N8. P.1147-1166. DOI: 10.1134/S0022476621080011 WOS Scopus РИНЦ
4	Sadykov V. , Pikalova E. , Eremeev N. , Shubin A. , Zilberberg I. , Prosvirin I. , Sadovskaya E. , Bukhtiyarov A. Oxygen Transport in Pr Nickelates: Elucidation of Atomic-Scale Features Solid State Ionics. 2020. V.344. 115155 :1-9. DOI: 10.1016/j.ssi.2019.115155 WOS Scopus РИНЦ
5	Gainutdinov I. , Nemudry A. , Zilberberg I. Ab initio Molecular Dynamic Study of Structure and Atomic Motions in SrCoO3-x and SrCo0.875Mo0.125O3-x Materials Today: Proceedings. 2020. V.25. N3. P.435-438. DOI: 10.1016/j.matpr.2019.12.150 WOS Scopus РИНЦ
6	Derevyanko D.I. , Shelkovnikov V.V. , Kovalskii V.Y. , Zilberberg I.L. , Aliev S.I. , Orlova N.A. , Ugozhaev V.D. The Charge Transfer Complex Formed between the Components of Photopolymer Material as an Internal Sensitizer of Spectral Sensitivity ChemistrySelect. 2020. V.5. N38. P.11939-11947. DOI: 10.1002/slct.202002163 WOS Scopus
7	Gainutdinov I.I. , Nemudry A.P. , Zilberberg I.L. Using Doping to Modify the Properties of SrFeO3 and SrCoO3 Oxides: DFT Calculations of the Electronic Structure Journal of Structural Chemistry. 2019. V.60. N2. P.171-178. DOI: 10.1134/S002247661902001X WOS Scopus РИНЦ
8	Gainutdinov I.I. , Nemudry A.P. , Zilberberg I.L. The Influence of A- and B-Cation Substitution on Electronic Structure of SrFeO3 and SrCoO3 Materials Today: Proceedings. 2019. V.12. P.21-24. DOI: 10.1016/j.matpr.2019.02.208 WOS Scopus РИНЦ
9	Chikunov A.S. , Taran O.P. , Shubin A.A. , Zil’berberg I.L. , Parmon V.N. Oxidation of Water to Molecular Oxygen by One-Electron Oxidants on Transition Metal Hydroxides Kinetics and Catalysis. 2018. V.59. N1. P.23-47. DOI: 10.1134/S0023158418010032 WOS Scopus РИНЦ
10	Shubin A. , Zilberberg I. , Ismagilov I. , Matus E. , Kerzhentsev M. , Ismagilov Z. Hydrogen Abstraction from Methane on Cristobalite Supported W and Mn oxo Complexes: A DFT Study Molecular Catalysis. 2018. V.445. P.307-315. DOI: 10.1016/j.mcat.2017.11.039 WOS Scopus РИНЦ
11	Kovalskii V. , Zilberberg I. Effect of Support on the Vanadyl Oxygen Abstraction in Supported Vanadia arXiv.org, e-Print Archive, Condensed Matter. 2018. 1802.04496 :1-21.
12	Zilberberg I.L. Electron Configuration of the [FeO](2+) Group in the H-Abstraction from Methane: Oxyl versus Ferryl arXiv.org, e-Print Archive, Condensed Matter. 2018. https://arxiv.org/abs/1805.01778 :1-8.
13	Shubin A.A. , Kovalskii V.Y. , Ruzankin S.P. , Zilberberg I.L. , Parmon V.N. Water Oxidation versus Hydroxylation by the Terminal Oxo Center of the Fe(III)-Hydroxide: DFT Predictions arXiv.org, e-Print Archive, Physics. 2018. arxiv:1810.06343 :1-11.
14	Kovalskii V. , Shubin A.A. , Chen Y. , Ovchinnikov D. , Ruzankin S.P. , Hasegawa J. , Zilberberg I. , Parmon V.N. Hidden Radical Reactivity of the [FeO]2+ Group of the (Hydro)oxide Species in the H-Abstraction from Methane: A DFT and CASPT2 Study arXiv.org, e-Print Archive, Physics. 2017. P.1-40.
15	Kovalskii V. , Shubin A. , Chen Y. , Ovchinnikov D. , Ruzankin S.P. , Hasegawa J. , Zilberberg I. , Parmon V.N. Hidden Radical Reactivity of the [FeO]2+ Group in the H-Abstraction from Methane: DFT and CASPT2 Supported Mechanism by the Example of Model Iron (Hydro)oxide Species Chemical Physics Letters. 2017. V.679. P.193-199. DOI: 10.1016/j.cplett.2017.05.002 WOS Scopus РИНЦ
16	Yamaletdinov R.D. , Zilberberg I.L. The Effect of trans Ligands in the NO-Linkage Reverse Isomerization for Ruthenium–Nitrosyl–Tetraammine Complexes: A DFT Study European Journal of Inorganic Chemistry. 2017. V.2017. N23. P.2951-2954. DOI: 10.1002/ejic.201700138 WOS Scopus РИНЦ
17	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 Scopus РИНЦ
18	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 Scopus РИНЦ
19	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 Scopus РИНЦ
20	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 Scopus РИНЦ
21	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 WOS Scopus РИНЦ
22	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 Scopus РИНЦ
23	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 WOS Scopus РИНЦ
24	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 Scopus РИНЦ
25	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 Scopus РИНЦ
26	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 WOS Scopus РИНЦ
27	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 Scopus РИНЦ
28	Zilberberg I. , Ruzankin S.P. Paired Orbitals for Different Spins Equations arXiv.org, e-Print Archive, Physics. 2008. NarXiv:0804.0967v1 [physics.chem-ph]. P.1-11.
29	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 Scopus РИНЦ
30	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 WOS Scopus РИНЦ
31	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 WOS Scopus РИНЦ
32	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 Scopus РИНЦ
33	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 Scopus РИНЦ
34	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 Scopus РИНЦ
35	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 Scopus РИНЦ
36	Zilberberg I. , Gora R.W. , Zhidomirov G.M. , Leszczynski J. Bonding in the Oxo Ferrous Iron Species: A Complete Active-Space Self-Consistent-Field Theory Verification of the Molecular-Oxygen-Like Pattern Journal of Chemical Physics. 2002. V.117. N15. P.7153-7161. DOI: 10.1063/1.1506913 WOS Scopus РИНЦ
37	Milov M.A. , Zilberberg I.L. , Ruzankin S.F. , Zhidomirov G.M. Oxygen Diffusion Through the Ag(111) Surface: A Quantum Chemical Study by the NDDO/MC Method Journal of Structural Chemistry. 2000. V.41. N2. P.200-205. DOI: 10.1007/BF02741583 WOS Scopus РИНЦ
38	Milov M.A. , Zilberberg I.L. , Ruzankin S.F. , Zhidomirov G.M. Oxygen Adsorption on the Ag(111) Surface: A Quantum Chemical Study by the NDDO/MC Method Journal of Molecular Catalysis A: Chemical. 2000. V.158. N1. P.309-312. DOI: 10.1016/S1381-1169(00)00096-0 WOS Scopus РИНЦ
39	Zilberberg I.L. , Milov M.A. , Zhidomirov G.M. Scaling the Coulomb Interaction in Calculations of Electron Spectra of Transition Metal Complexes Journal of Structural Chemistry. 1999. V.40. N1. P.1-9. DOI: 10.1007/BF02700770 WOS Scopus РИНЦ РИНЦ
40	Zilberberg I.L. , Zhidomirov G.M. Semiempirical NDDO/MC Calculations of the Excited States of the Chromate Ion Journal of Structural Chemistry. 1999. V.40. N2. P.187-191. DOI: 10.1007/BF02903645 WOS Scopus РИНЦ
41	Zilberberg I.L. , Milov M.A. , Zhidomirov G.M. Forms of Chemisorbed Oxygen on Ag(111): NDDO/MC Semiempirical Investigation Journal of Structural Chemistry. 1999. V.40. N3. P.350-357. DOI: 10.1007/BF02700629 WOS Scopus РИНЦ
42	Pelmenschikov A. , Zilberberg I. , Leszczynski J. , Famulari A. , Sironi M. , Raimondi M. Cis-[Pt(NH3)2]2+ Coordination to the N7 and O6 Sites of a Guanine-Cytosine Pair: Disruption of the Watson-Crick H-Bonding Pattern Chemical Physics Letters. 1999. V.314. N5-6. P.496-500. DOI: 10.1016/S0009-2614(99)01156-2 WOS Scopus РИНЦ
43	Kuznetsov V.L. , Zilberberg I.L. , Butenko Y.V. , Chuvilin A.L. , Segall B. Theoretical Study of the Formation of Closed Curved Graphite-Like Structures During Annealing of Diamond Surface Journal of Applied Physics. 1999. V.86. N2. P.863-870. DOI: 10.1063/1.370816 WOS Scopus РИНЦ
44	Zilberberg I.L. , Zhidomirov G.M. Forms of Chemisorbed Oxygen on Ag(110): Semiempirical Investigation by the NDDO/MC Method Journal of Structural Chemistry. 1997. V.38. N4. P.528-535. DOI: 10.1007/BF02762733 WOS Scopus РИНЦ
45	Zilberberg I.L. , Avdeev V.I. , Zhidomirov G.M. Effect of Cisplatin Binding on Guanine in Nucleic Acid: An ab initio Study Journal of Molecular Structure: THEOCHEM. 1997. V.418. N1. P.73-81. DOI: 10.1016/S0166-1280(97)00066-3 WOS Scopus РИНЦ
46	Zhidomirov G.M. , Zhanpeisov N.U. , Zilberberg I.L. , Yudanov I.V. On Some Ways of Modifying Semiempirical Quantum Chemical Methods International Journal of Quantum Chemistry. 1996. V.58. N2. P.175-184. DOI: 10.1002/(SICI)1097-461X(1996)58:2<175::AID-QUA6>3.0.CO;2-V WOS Scopus РИНЦ
47	Yefremenko I.G. , Zilberberg I.L. , Zhidomirov G.M. , Pak A.M. Hydrogen Activation on Copper Catalytic Sites in Stereoselective Alkyne Hydrogenation Reaction Kinetics and Catalysis Letters. 1995. V.56. N1. P.77-86. DOI: 10.1007/BF02066953 WOS Scopus РИНЦ
48	Zilberberg I.L. , Zhidomirov G.M. , Skuratovskii I.Y. Effect of Ni(II) Binding on the Tautomerism of Guanine: A Quantum-Chemical NDDO Investigation Journal of Molecular Structure: THEOCHEM. 1993. V.285. N1. P.129-136. DOI: 10.1016/0166-1280(93)87026-A WOS Scopus РИНЦ
49	Zilberberg I.L. , Filatov M.J. , Zhidomirov G.M. Coulomb Hybrid Two-Electron Integrals for Transition Metal Atoms: Comparison of Theoretical Integrals with those Evaluated from Spectroscopic Data Computer Physics Communications. 1992. V.73. N1-3. P.205-208. DOI: 10.1016/0010-4655(92)90041-V WOS Scopus РИНЦ
50	Filatov M.J. , Zilberberg I.L. , Zhidomirov G.M. NDDO/MC: A New Semiempirical SCF MO Method for Transition Metal Complexes International Journal of Quantum Chemistry. 1992. V.44. N4. P.565-585. DOI: 10.1002/qua.560440414 WOS Scopus РИНЦ

Articles in compilations (1) More info

Zilberberg I.L. , Shubin A.A. , Ruzankin S.P. , Kovalskii V.Y. , Ovchinnikov D.A. , Parmon V.N.
DFT Predictions for Hydrogen Atom Transfer at the [FeO]2+ Group: A Distinct Activity of the Oxyl State FeIII-O•
In compilation Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2016 (ICCMSE-2016). 2016. – ISBN 978-0-7354-1454-9. DOI: 10.1063/1.4968653 WOS Scopus РИНЦ

Conference theses (5) More info

1	Kovalskii V.Y. , Shubin A.A. , Ovchinnikov D.A. , Ruzankin S.P. , Zilberberg I.L. , Parmon V.N. Hidden Radical Reactivity of the [FeO]2+ Group in the H-Abstraction from Methane by Iron (Hydro)oxide Species In compilation IV Scientific Conference dedicated to the 110th anniversary of Academician Georgii K. Boreskov (April 19-21, 2017, Novosibirsk, Russia): Abstracts. – Novosibirsk: BIC., 2017. – C.205. – ISBN 9785906376169.
2	Zilberberg I.L. , Shubin A.A. , Ismagilov I.Z. , Matus E.V. , Kerzhentsev M.A. , Ismagilov Z.R. Quantum-chemical Modeling of the Active Center of MnNaW/SiO2 Catalyst for Oxidative Coupling of Methane In compilation X International Conference "Mechanisms of Catalytic Reactions" (MCR-X), (October 2 - 6, 2016, Svetlogorsk, Kaliningrad Region, Russia): book of abstracts. – BIC., 2016. – C.177.
3	Ismagilov I. , Shubin A. , Zilberberg I. , Matus E. , Kerzhentsev M. , Ismagilov Z. Oxidative Activation of Methane over MnNaW/SiO2 Catalysts: Models for Active Sites In compilation EuropaCat XII. Catalysis: Balancing the use of fossil and renewable resources. XII European Congress on Catalysis, Kazan (Russia), 30 August - 4 September, 2015 : Book of Abstracts. – Boreskov Institute of Catalysis., 2015. – C.759-760. – ISBN 9785906376107.
4	Yudanov I.V. , Zilberberg I.L. Catalytic Activity of Metal Nanocrystallites: DFT Studies of Structure Sensitivity and Particle Size Effects In compilation The Fifth International Symposium on Methods and Applications of Computational Chemistry (MACC-5). 2013. – C.34.
5	Taran O.P. , Simonov A.N. , Kozlov S.M. , Zilberberg I.L. , Parmon V.N. Formose (Butlerov) Reaction – Chain Mechanism of Catalytic Process In compilation Международная конференция «Современные проблемы химической физики», посвященная 50-летию Института химической физики им. А.Б. Налбандяна НАН Республики Армения. 2012. – C.96-97.

Conference attendances (10) More info

1	Гайнутдинов И.И. , Немудрый А.П. , Зильберберг И.Л. The Oxygen Interaction with the Surface of Strontium Ferrites and Cobaltites, Doped by Molybdenum XXIV International Conference on Chemical Reactors. CHEMREACTOR-24 12-17 Sep 2021
2	Ковальский В.Ю. , Шубин А.А. , Рузанкин С.Ф. , Зильберберг И.Л. The Oxyl Mechanism of the H Abstraction from Methane on the [FeO]2+ Unit Containing Zeolite Like Species: DFT Computation Школа молодых учёных "Новые катализаторы и каталитические процессы для решения задач экологически чистой и ресурсосберегающей энергетики" 01-02 Oct 2019
3	Садыков В.А. , Пикалова Е.Ю. , Еремеев Н.Ф. , Филонова Е.А. , Шубин А.А. , Зильберберг И.Л. , Просвирин И.П. Oxygen Transport in Pr Nickelates: Elucidation of Atomic-Scale Features 22nd International Conference on Solid State Ionics 16-21 Jun 2019
4	Гайнутдинов И.И. , Немудрый А.П. , Зильберберг И.Л. The Influence of A- and B-Cation Substitution on Electronic Structure of SrFeO3 AND SrCoO3 V International Conference on Fundamental Bases of Mechanochemical Technologies 26-28 Jun 2018
5	Ковальский В.Ю. , Шубин А.А. , Овчинников Д.А. , Рузанкин С.Ф. , Зильберберг И.Л. , Пармон В.Н. Hidden Radical Reactivity of the [FeO]2+ Group in the H-Abstraction from Methane by Iron (Hydro)oxide Species IV Scientific Conference BORESKOV READINGS dedicated to the 110th anniversary of Academician Georgii K. Boreskov 19-21 Apr 2017
6	Зильберберг И.Л. , Шубин А.А. , Исмагилов И.З. , Матус Е.В. , Керженцев М.А. , Исмагилов З.Р. Quantum-chemical Modeling of the Active Center of MnNaW/SiO2 Catalyst for Oxidative Coupling of Methane X International Conference “Mechanisms of Catalytic Reactions” 02-06 Oct 2016
7	Зильберберг И.Л. The Oxyl Route of the C-H Bond Activation by the Iron Oxo/Hydroxo Species: Cluster DFT Predictions Boreskov Institute of Catalysis (BIC) - Institute for Catalysis (ICAT) Workshop 25-25 Aug 2016
8	Исмагилов И.З. , Шубин А.А. , Зильберберг И.Л. , Матус Е.В. , Керженцев М.А. , Исмагилов З.Р. Oxidative Activation of Methane over MnNaW/SiO2 Catalysts: Models for Active Sites EuropaCat-XII: 12th European Congress on Catalysis “Catalysis: Balancing the use of fossil and renewable resources” 30 Aug - 4 Sep 2015
9	Юданов И.В. , Зильберберг И.Л. Catalytic Activity of Metal Nanocrystallites: DFT Studies of Structure Sensitivity and Particle Size Effects The Fifth International Symposium on Methods and Applications of Computational Chemistry (MACC-5) 01-05 Jul 2013
10	Таран О.П. , Симонов А.Н. , Козлов С.М. , Зильберберг И.Л. , Пармон В.Н. Formose (Butlerov) Reaction – Chain Mechanism of Catalytic Process Международная конференция «Современные проблемы химической физики», посвященная 50-летию Института химической физики им. А.Б. Налбандяна НАН Республики Армения 09-12 Oct 2012