1
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Mamatkulov M.
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Yudanov I.V.
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Bukhtiyarov A.V.
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Neyman K.M.
Pd Single-Atom Sites on the Surface of PdAu Nanoparticles: A DFT-Based Topological Search for Suitable Compositions
Nanomaterials. 2021.
V.11. N1. 122
:1-17. DOI: 10.3390/nano11010122
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РИНЦ
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2
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Boronin A.I.
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Slavinskaya E.M.
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Figueroba A.
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Stadnichenko A.I.
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Kardash T.Y.
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Stonkus O.A.
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Fedorova E.A.
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Muravev V.V.
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Svetlichnyi V.A.
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Bruix A.
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Neyman K.M.
CO Oxidation Activity of Pt/CeO2 Catalysts Below 0 °C: Platinum Loading Effects
Applied Catalysis B: Environmental. 2021.
V.286. 119931
:1-19. DOI: 10.1016/j.apcatb.2021.119931
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3
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Stadnichenko A.I.
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Muravev V.V.
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Koscheev S.V.
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Zaikovskii V.I.
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Aleksandrov H.A.
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Neyman K.M.
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Boronin A.I.
Study of Active Surface Centers of Pt/CeO2 Catalysts Prepared Using Radio-Frequency Plasma Sputtering Technique
Surface Science. 2019.
V.679. P.273-283. DOI: 10.1016/j.susc.2018.10.002
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4
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Mamatkulov M.
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Yudanov I.V.
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Bukhtiyarov A.V.
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Prosvirin I.P.
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Bukhtiyarov V.I.
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Neyman K.M.
Pd Segregation on the Surface of Bimetallic PdAu Nanoparticles Induced by Low Coverage of Adsorbed CO
The Journal of Physical Chemistry C. 2019.
V.123. N13. P.8037-8046. DOI: 10.1021/acs.jpcc.8b07402
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5
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Kardash T.Y.
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Derevyannikova E.A.
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Slavinskaya E.M.
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Stadnichenko A.I.
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Maltsev V.A.
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Zaikovskii A.V.
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Novopashin S.A.
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Boronin A.I.
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Neyman K.M.
Pt/CeO2 and Pt/CeSnOx Catalysts for Low-Temperature CO Oxidation Prepared by Plasma-Arc Technique
Frontiers in Chemistry. 2019.
V.7. 114
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6
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Yudanov I.V.
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Neyman K.M.
Stabilization of Au at Edges of Bimetallic PdAu Nanocrystallites
PCCP: Physical Chemistry Chemical Physics. 2010.
V.12. N19. P.5094-5100. DOI: 10.1039/b927048e
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РИНЦ
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7
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Lim K.H.
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Mohamed A.B.
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Yudanov I.V.
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Neyman K.M.
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Bron M.
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Claus P.
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Rösch N.
Mechanism of Selective Hydrogenation of α,β-Unsaturated Aldehydes on Silver Catalysts: A Density Functional Study
The Journal of Physical Chemistry C. 2009.
V.113. N30. P.13231-13240. DOI: 10.1021/jp902078c
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РИНЦ
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8
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Mohammad A.B.
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Yudanov I.V.
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Lim K.H.
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Neyman K.M.
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Rösch N.
Hydrogen Activation on Silver: A Computational Study on Surface and Subsurface Oxygen Species
The Journal of Physical Chemistry C. 2008.
V.112. N5. P.1628-1635. DOI: 10.1021/jp0765190
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9
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Yudanov I.V.
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Matveev A.V.
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Neyman K.M.
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Rösch N.
How the C-O Bond Breaks during Methanol Decomposition on Nanocrystallites of Palladium Catalysts
Journal of the American Chemical Society. 2008.
V.130. N29. P.9342-9352. DOI: 10.1021/ja078322r
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10
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Mohammad A.B.
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Lim K.H.
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Yudanov I.V.
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Neyman K.M.
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Rösch N.
A Computational Study of H2 Dissociation on Silver Surfaces: The Effect of Oxygen in the Added Row Structure of Ag(110)
PCCP: Physical Chemistry Chemical Physics. 2007.
V.9. N10. P.1247-1254. DOI: 10.1039/b616675j
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11
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Inntam C.
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Moskaleva L.V.
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Yudanov I.V.
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Neyman K.M.
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Rösch N.
Adsorption of Cu4, Ag4 and Au4 Particles on the Regular MgO(0 0 1) Surface: A Density Functional Study Using Embedded Cluster Models
Chemical Physics Letters. 2006.
V.417. N4-6. P.515-520. DOI: 10.1016/j.cplett.2005.10.080
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12
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Yudanov I.V.
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Neyman K.M.
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Rösch N.
C-O bond scission of methoxide on Pd nanoparticles: A density functional study
PCCP: Physical Chemistry Chemical Physics. 2006.
V.8. N20. P.2396-2401. DOI: 10.1039/b601695b
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13
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Neyman K.M.
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Inntam C.
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Gordienko A.B.
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Yudanov I.V.
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Rösch N.
Adsorption of Carbon on Pd Clusters of Nanometer Size: A First-Principles Theoretical Study
Journal of Chemical Physics. 2005.
V.122. N17. P.174705/1-174705/9. DOI: 10.1063/1.1888385
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14
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Yudanov I.V.
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Neyman K.M.
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Rösch N.
Density Functional Study of Pd Nanoparticles with Subsurface Impurities of Light Element Atoms
PCCP: Physical Chemistry Chemical Physics. 2004.
V.6. N1. P.116-123. DOI: 10.1039/b311054k
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15
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Yudanov I.V.
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Sahnoun R.
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Neyman K.M.
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Rösch N.
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Hoffmann J.
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Schauerman S.
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Johánek V.
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Unterhalt H.
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Rupprechter G.
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Libuda J.
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Freund H-J.
CO Adsorption on Pd Nanoparticles: Density Functional and Vibrational Spectroscopy Studies
The Journal of Physical Chemistry B. 2003.
V.107. N1. P.255-264. DOI: 10.1021/jp022052b
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16
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Yudanov I.V.
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Sahnoun R.
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Neyman K.M.
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Rösch N.
Metal Nanoparticles as Models of Single Crystal Surfaces and Supported Catalysts: Density Functional Study of Size Effects for CO/Pd(111)
Journal of Chemical Physics. 2002.
V.117. N21. P.9887-9896. DOI: 10.1063/1.1516798
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17
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Matveev A.V.
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Neyman K.M.
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Yudanov I.V.
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Rösch N.
Adsorption of Transition Metal Atoms on Oxygen Vacancies and Regular Sites of the MgO(001) Surface
Surface Science. 1999.
V.426. N1. P.123-139. DOI: 10.1016/S0039-6028(99)00327-1
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18
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Yudanov I.V.
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Vent S.
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Neyman K.
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Pacchioni G.
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Rösch N.
Adsorption of Pd Atoms and Pd4 Clusters on the MgO(001) Surface: A Density Functional Study
Chemical Physics Letters. 1997.
V.275. N3-4. P.245-252. DOI: 10.1016/S0009-2614(97)00772-0
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19
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Yudanov I.V.
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Nasluzov V.A.
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Neyman K.M.
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Rösch N.
Density Functional Cluster Description of Ionic Materials: Improved Boundary Conditions for MgO Clusters with the Help of Cation Model Potentials
International Journal of Quantum Chemistry. 1997.
V.65. N5. P.975-986. DOI: 10.1002/(SICI)1097-461X(1997)65:5<975::AID-QUA60>3.0.CO;2-T
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20
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Yudanov I.
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Pacchioni G.
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Neyman K.
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Rösch N.
Systematic Density Functional Study of the Adsorption of Transition Metal Atoms on the MgO(001) Surface
The Journal of Physical Chemistry B. 1997.
V.101. N15. P.2786-2792. DOI: 10.1021/JP962487X
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21
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Yakovlev A.L.
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Zhidomirov G.M.
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Neyman K.M.
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Nasluzov V.A.
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Rösch N.
Electron-Deficient Palladium Clusters in Zeolites and Their Complexes with Probe CO Molecules. A Density Functional Model Custer Study
Berichte der Bunsengesellschaft/Physical Chemistry Chemical Physics. 1996.
V.100. N4. P.413-417. DOI: 10.1002/bbpc.19961000403
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22
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Neyman K.M.
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Zhidomirov G.M.
A Density Functional Study of CO Adsorption on Three- and Five-Coordinate Al in Oxide Systems
Catalysis Letters. 1996.
V.40. N3-4. P.183-188. DOI: 10.1007/BF00815280
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23
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Yakovlev A.L.
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Neyman K.M.
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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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24
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Neyman K.M.
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Strodel P.
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Ruzankin S.P.
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Knözinger H.
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N2 and CO Molecules as Probes of Zeolite Acidity: an Infrared Spectroscopy and Density Functional Investigation
Catalysis Letters. 1995.
V.31. N2-3. P.273-285. DOI: 10.1007/BF00808840
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25
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Albert K.
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Neyman K.M.
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Nasluzov V.A.
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Ruzankin S.P.
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Yeretzian C.
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On the Electronic and Geometric Structure of Bimetallic Clusters. A Comparison of the Novel Cluster Na6Pb to Na6Mg
Chemical Physics Letters. 1995.
V.245. N6. P.671-678. DOI: 10.1016/0009-2614(95)01063-F
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26
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Neyman K.M.
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Ruzankin S.P.
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Adsorption of CO Molecules on a MgO(001) Surface. Model Cluster Density Functional Study Employing a Gradient-Corrected Potential
Chemical Physics Letters. 1995.
V.246. N6. P.546-554. DOI: 10.1016/0009-2614(95)01150-X
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27
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Kondratenko A.V.
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Neiman K.M.
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Quantum Chemistry and Spectroscopy of Highly Excited States of Coordination Compounds
Journal of Structural Chemistry. 1988.
V.29. N6. P.899-910. DOI: 10.1007/BF00748433
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28
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Neiman K.M.
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Test Calculations of Permanganate Ion by the Xα Scattered Wave Method
Journal of Structural Chemistry. 1984.
V.25. N2. P.320-321. DOI: 10.1007/BF00747365
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