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Для сотрудников ФИЦ ПХФ и МХ
Zyubina Tatiana
Scientific achievements- Simulation of the volume and surface of solids using the cluster approximation and periodic boundary conditions in the framework of the density functional method with the gradient correction taken into account.
- Quantum-chemical simulation of the electrotransport properties of systems with ion charge transfer.
- Search for new electrode materials for proton and lithium-ion batteries.
- Quantum-chemical modeling of elementary catalytic acts on the surface of composite catalysts.
The most significant publications:
1. M.F. Budyka , T.S. Zyubina , A.G. Ryabenko , S.H. Lin , A.M. Mebel Bond lengths and diameters of armchair single wall carbon nanotubes Chemical Physics Letters. 2005, V.407, N.4-6, P. 266-271 Impact factor:1.615
2. Zyubina T. S., Dyakov Y. A., Lin S. H., Bandrauk A. D., and Mebel A. M.. Theoretical study of isomerization and dissociation of acetylene dication in the ground and excited electronic states. JOURNAL OF CHEMICAL PHYSICS ., 2005, V. 123, N 13, P. 134320 – 13432 Impact factor: 2.743
3. M.F. Budyka, T.S. Zyubina, A.K. Zarkadis, Correlating ground and excited state properties: a quantum chemical study of the photodissociation of the C-N bond in N-substituted anilines. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2002, V. 594, N. 1-2, P. 113-125 Impact factor: 1.281
4. M.V. Kharlamova, L.V. Yashina, A.A. Volykhov, J.J. Niu, V.S. Neudachina, M.M. Brzhezinskaya, T.S. Zyubina, A.I. Belogorokhov and A.A. Eliseev Acceptor doping of single-walled carbon nanotubes by encapsulation of zinc halogenides . EUROPEAN PHYSICAL JOURNAL B. V.85, N.1, Article Number 34 Impact factor: 1.342
5. L. V. Yashina,, R. Püttner, V. S. Neudachina, T. S. Zyubina, V. I. Shtanov, and M. V. Poygin X-ray photoelectron studies of clean and oxidized alpha-GeTe(111) surfaces JOURNAL OF APPLIED PHYSICS. 2008, V: 103, N.9, Article Number: 094909 Impact factor: 2.163 6.
6. M. V. Kharlamova, L. V. Yashina, A. A. Eliseev, A. A. Volykhov, V. S. Neudachina, M. M. Brzhezinskaya, T. S. Zyubina, A. V. Lukashin and Yu. D. Tretyakov .Single-walled carbon nanotubes filled with nickel halogenides: Atomic structure and doping effect PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS. 2012, V.249, N.12, P:2328-2332 Количество цитирований: 28, Impact factor: 1.489 7. M. F. Budyka; T.S. Zyubina, Theoretical investigation of azido group dissociation in aromatic azides Conference:3rd Electronic Computational Chemistry Conference (ECCC 3)Location:ELECTR NETWORKDate:NOV, 1996 Sponsor(s):No Illinois Univ; Univ Regensberg THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE. 1997, V:19, P.191-199, Impact factor: 1.048
7. Zyubina T.S., Neudachina V.S., Yashina L.V., Shtanov V.I. XPS and ab initio study of the interaction of PbTe with molecular oxygen. SURFACE SCIENCE , 2005, v.574, №1, p.52-64 Impact factor: 1.827
8. L.V. Yashina, T.S. Zyubina, R.Puettner, A.S. Zyubin, V.I. Shtanov, E.V. Tikhonov A Combined Photoelectron Spectroscopy and ab Initio Study of the Adsorbate System O2/PbTe(001) and the Oxide Layer Growth Kinetics JOURNAL OF PHYSICAL CHEMISTRY C , 2008, V.112, N.50, P.19995-20006 Impact factor: 4.691
9. M.F.Budyka, T.S.Zyubina, A.G.Ryabenko, V.E.Muradyan, S.E.Esipov and N.I.Cherepanova Is C2 cluster ingested by fullerene C60? // CHEMICAL PHYSICS LETTERS. 2002, V.354, P.93-99. Impact factor: 1.615
Scientific Departments
- Institute of Physiologically Active Compounds
- Department of Combustion and Explosion
- Department of Kinetics and Catalysis
- Laboratory of Synthesis of Organic Polyfunctional Materials
- Laboratory of EPR-Spectroscopy of Macromolecules
- Laboratory of Electrochemical Dynamics and Electrolytic Systems
- Laboratory of Molecular Spectroscopy
- Laboratory of Radical Liquid-Phase Reactions
- Laboratory of Complex Catalysts
- Laboratory of Functional Materials for Electronics and Medicine
- Group of Kinetics of Cluster Processes
- Department of Polymers and Composite Materials
- Chemical Engineering Department
- Laboratory of Catalytic Synthesis of Organic Compounds
- Laboratory of Petrochemical Processes
- Laboratory of Physico-Chemical engineering of composite materials
- Laboratory of Gas Chemistry Processes
- Group of Heterogeneous Catalysis Engineering
- Group of Business and Techno-economic Research
- Multiple-access Center “New Petrochemical Processes, Polymer Composites and Adhesives”
- Department of Extreme States of Matter
- Laboratory of Computational Fluid Dynamics
- High Dynamic Pressures Laboratory
- Laboratory of Thermal Properties of Dense Plasma
- Laboratory of Experimental Thermal Physics
- Laboratory of Detonation
- Laboratory of Matter State Equations
- Laboratory of Rheological Properties of Condensed Media upon Impulse Impacts
- Laboratory of Electromagnetic Processes in Shock-Compressed Media
- Group of Chemistry of Impulse Impacts
- Group of Chemical Physics of low temperatures
- Department of Structure of Matter
- Laboratory of Structural Chemistry
- Laboratory of Cryochemistry and Radiation Chemistry
- Laboratory of Kinetic ESR and Molecular Spectroscopy
- Laboratory of Molecular Conductors and Magnets
- Joint Laboratory of Photodynamics of Nanobiostructures
- Group of the Mössbauer spectroscopy and magnetochemistry
- Group of magnetic and spin logical processes and devices
- Radiation Exposure Group "Gammatok-100"
- Department of Nanophotonics
- Department of Functional Materials for Chemical Energy Sources
- Laboratory of Superionics
- Complex of Laboratories for Hydrogen Materials Science
- Laboratory of Materials Engineering for Solid State Devices
- Laboratory of Laser Electrochemistry
- Laboratory of Solid-State Electrochemical Systems
- Laboratory of Electrode Processes in Liquid Systems
- Group of Special Materials
- Department of Kinetics of Chemical and Biological Processes
- Laboratory of Chemical Physics of Ferments
- Laboratory of Molecular Biology
- Laboratory of Kinetic Modeling
- Laboratory of Biologically Active Compounds
- Laboratory of Physico-Chemical Biology of Physiologically Active Compounds
- Group of Stable Radicals
- Group of Free Radical Processes in Biosystems
- Group of Molecular Modeling of Biochemical Processes
- Screening and Preclinical Studies Unit
- Theoretical Department
- Research Center of Nanostructured Materials for Energy Conversion and Storage
- Competence Center of National Technology Initiative