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特聘教授 A. R. Oganov FRSC MAE

Chairman of the Scientific Committee of VYZOV Prize

斯科尔科沃科技学院

地址: 斯科尔科沃科技学院,
斯科尔科沃创新中心
莫斯科 121205, 俄罗斯.
Email: This email address is being protected from spambots. You need JavaScript enabled to view it.
Curriculum Vitae
Curriculum Vitae (in Russian)

精选论文

  1. Shutov G.M., Semenok D.V., Kruglov I.A., Oganov A.R. (2023).
    Ternary superconducting hydrides in the La–Mg–H system. Materials Today Physics 40, 101300. (pdf-file)
  2. Kruglov I.A., Yanilkin A.V., Propad Yana, Mazitov A.B., Rachitskii P., Oganov A.R. (2023).
    Crystal structure prediction at finite temperatures. npj Comp. Mater. 9, 197. (pdf-file)
  3. Vaneeva E.E., Lepeshkin S.V., Oganov A.R. (2023).
    Prediction and Rationalization of Abundant C–N–H Molecules in Different Environments. J. Phys. Chem. Lett. 14, 8367–8375. (pdf-file)
  4. Maltsev A.P., Chepkasov I.V., Oganov A.R. (2023).
    Order–Disorder Phase Transition and Ionic Conductivity in a Li2B12H12 Solid Electrolyte. ACS Appl. Mater. Interfaces, 2023, 15, 42511-42519. (pdf-file)
  5. Mikhailova A.A., Lepeshkin S.V., Baturin V.S., Maltsev A.P., Uspenskii Y.A., Oganov A.R. (2023).
    Ultralow reaction barriers for CO oxidation in Cu–Au nanoclusters. Nanoscale, 2023, 15, 13699-13707. (pdf-file)
  6. Huang H.-M., Zhu Q., Blatov V.A., Oganov A.R., Wei H., Jiang P., Li Y.-L. (2023).
    Novel Topological Motifs and Superconductivity in Li-Cs System. Nano Lett. 23, 5012-5018. (pdf-file)
  7. Chen W., Huang X., Semenok D.V., Chen S., Zhang K., Oganov A.R., Cui T. (2023).
    Enhancement of the superconducting critical temperature realized in the La-Ce-H system at moderate pressures. Nature Comm., 14, 2660. (pdf-file)
  8. Rybkovskiy D.V., Lepeshkin S.V., Baturin V.S., Mikhailova A.A., Oganov A.R. (2023).
    Phosphorus nanoclusters and insight into the formation of phosphorus allotropes. Nanoscale, 2023, 15, 1338-1346. (pdf-file)
  9. Semenok D.V., Troyan I.A., Sadakov A.V., Zhou D., Galasso M., Kvashnin A.G., Kruglov I.A., Bykov A.A., Terent’ev K.Y., Cherepanin A.V., Sobolevskiy O.A., Pervakov K.S., Seregin A.Yu., Helm T., Förster T., Grochowiak A.D., Tozer S.W., Nakamoto Y., Shimizu K., Pudalov V.M., Lyubutin I.S., Oganov A.R. (2022).
    Effect of magnetic impurities on superconductivity in LaH10. Adv. Mater., 34, 2204038.(pdf-file)
  10. Lepeshkin S.V., Naumova A.S., Baturin V.S., Oganov A.R. (2022).
    “Magic” molecules and a new look at chemical diversity of hydrocarbons. J. Phys. Chem. Lett. 13, 7600-7606.(pdf-file)
  11. Semenok D.V., Chen W., Huang X., Zhou D., Kruglov I.A., Mazitov A.B., Galasso M., Tantardini C., Gonze X., Kvashnin A.G., Oganov A.R., Cui T. (2022).
    Sr-Doped Molecular Hydrogen: Synthesis and Properties of SrH22. Adv. Mater. (pdf-file)
  12. Novoselov D.Y., Mazannikova M.A., Korotin D.M., Shorikov A.O., Korotin M.A., Anisimov V.I., Oganov A.R. (2022).
    Localization mechanism of interstitial electronic states in electride mayenite. J. Phys. Chem. Lett. 13, 7155-7160. (pdf-file)
  13. Wang Y., Bykov M., Chepkasov I., Samtsevitch A., Bykova E., Zhang X., Jiang S.-q., Greenberg E., Chariton S., Prakapenka V.B., Oganov A.R., Goncharov A.F. (2022).
    Stabilization of hexazine rings in potassium polynitride at high pressure. Nature Chemistry, (pdf-file)
  14. Dong X., Oganov A.R., Cui H., Zhou X.-F., Wang H.-T. (2022).
    Electronegativity and chemical hardness of the elements under pressure. Proc. Natl. Acad. Sci. 119, e2117416119. (pdf-file)
  15. Boeri L., Hennig R.G., Hirschfeld P.J., Profeta G., Sanna A., Zurek E., Pickett W.E., Amsler M., Dias R., Eremets M., Heil C., Hemley R.J., Liu H., Ma Y., Pierleoni C., Kolmogorov A., Rybin N., Novoselov D., Anisimov V.I., Oganov A.R., Pickard C.J., Bi T., Arita R., Errea I., Pellegrini C., Requist R., Gross E.K.U., Margine E.R., Xie S.R., Quan Y., Hire A., Fanfarillo L. Stewart G.R., Hamlin J.J., Stanev V., Gonnelli R.S., Piatti E., Romanin D., Daghero D., Valenti R. (2022).
    The 2021 room-temperature superconductivity roadmap. J. Phys.: Cond. Matt. 34, 183002 (pdf-file)
  16. Li H.F., Oganov A.R., Cui H., Zhou X.-F., Dong X., Wang H.-T. (2022).
    Ultrahigh-pressure magnesium hydrosilicates as reservoirs of water in early Earth. Phys. Rev. Lett. 128, 035703.(pdf-file)
  17. Fan T., Oganov A.R. (2021).
    Discovery of high performance thermoelectric chalcogenides through first-principles high-throughput screening. J. Mater. Chem. C 9, 13226-13235. (pdf-file)
  18. Chen W., Semenok D.V., Huang X., Shu H., Li X., Duan D., Cui T., Oganov A.R. (2021).
    High-Temperature Superconducting Phases in Cerium Superhydride with a Tc up to 115 K below a Pressure of 1 Megabar. Phys. Rev. Lett. 127, 117001. (pdf-file).
  19. Yue C., Weng X.-J., Gao G., Oganov A.R., Dong X., Shao X., Wang X., Sun J., Xu B., Wang H.-T., Zhou X.-F., Tian Y. (2021).
    Formation of copper boride on Cu(111). Fundamental Research 1, 482-487. (pdf-file)
  20. Tantardini C., Oganov A.R. (2021)
    Thermochemical electronegativities of the elements.
    Nature Communications 12, 2087 (pdf-file)
  21. Semenok D.V., Troyan I.A., Ivanova A.G., Kvashnin A.G., Kruglov I.A., Hanfland M., Sadakov A.V., Sobolevskiy O.A., Pervakov K.S., Lyubutin I.S., Glazyrin K.V., Giordano N., Karimov D.N., Vasiliev A.L., Akashi R., Pudalov V.M., Oganov A.R. (2021)
    Superconductivity at 253 K in lanthanum–yttrium ternary hydrides.
    Materials Today 48, 18-28. (pdf-file)
  22. Fan T., Oganov A.R. (2021).
    AICON2: A program for calculating transport properties quickly and accurately. Computer Phys. Comm. 266, 108027(pdf-file)
  23. Li H., Min J., Yang Z., Wang Z., Pan S., Oganov A.R. (2021)
    Prediction of Novel van der Waals Boron Oxides with Superior Deep-Ultraviolet Nonlinear Optical Performance.
    Angew. Chem. Int. Ed. 2021, 60, 10791–10797 (pdf-file)
  24. Troyan I.A., Semenok D.V., Kvashnin A.G., Sadakov A.V., Sobolevskiy O.A., Pudalov V.M., Ivanova A.G., Prakapenka V.B., Greenberg E., Gavrilyuk A.G., Lyubutin I.S., Struzhkin V.V., Bergara A., Errea I., Bianco R., Calandra M., Mauri F., Monacelli L., Akashi R., Oganov A.R. (2021)
    Anomalous high-temperature superconductivity in YH6.
    Adv. Mater., 2006832 (pdf-file)
  25. Chen W., Semenok D.V., Kvashnin A.G., Huang X., Kruglov I.A., Galasso M., Song H., Duan D., Goncharov A.F., Prakapenka V.B., Oganov A.R., Cui T. (2020)
    Synthesis of Molecular Metallic Barium Superhydride: Pseudocubic BaH12.
    Nature Comm 12, 273.(pdf-file)
  26. Semenok D.V., Zhou D., Kvashnin A.G., Huang X., Galasso M., Kruglov I.A., Ivanova A.G., Gavriliuk A.G., Chen W., Tkachenko N.V., Boldyrev A.I., Troyan I., Oganov A.R., Cui T. (2021)
    Novel Strongly Correlated Europium Superhydrides.
    J. Phys. Chem. Lett. 12, 32-40. (pdf-file)
  27. Allahyari Z., Oganov A.R. (2020).
    Nonempirical definition of Mendeleev numbers: organizing the chemical space.
    J. Phys. Chem. C 124, 23867-23878. (pdf-file)
  28. Wang Y., Glazyrin K., Roizen V., Oganov A.R., Chernyshov I., Zhang X., Greenberg E., Prakapenka V.B., Yang X., Jiang S-q., Goncharov A.F. (2020).
    Novel Hydrogen Clathrate Hydrate. Phys. Rev. Lett. 125, 255702. (pdf-file)
  29. Broadway D.A., Scholten S.C., Tan C., Dontschuk N., Lillie S.E., Johnson B.C., Zheng G., Wang Z., Oganov A.R., Tian S., Li C., Lei H., Wang L., Hollenberg L.C.L., Tetienne J.-P. (2020).
    Imaging domain reversal in an ultrathin van der Waals ferromagnet.
    Adv. Mater., 2003314. (pdf-file)
  30. Miao N., Wang J., Gong Y., Wu J., Niu H., Wang S., Li K., Oganov A.R., Tada T., Hosono H. (2020).
    Computational prediction of boron-based MAX phases and MXene derivatives. Chem. Mater. 2020, 32, 16, 6947-6957. (pdf-file)
  31. Tikhomirova K.A., Tantardini C., Sukhanova E.V., Popov Z.I., Evlashin S.A., Tarkhov M.A., Zhdanov V.L., Dudin A.A., Oganov A.R., Kvashnin D.G., Kvashnin A.G. (2020).
    Exotic two-dimensional structure: the first case of hexagonal NaCl. J. Phys. Chem. Lett. 11, 3821-3827. (pdf-file)
  32. Allahyari Z., Oganov A.R. (2020).
    Coevolutionary search for optimal materials in the space of all possible compounds.
    npj Computational Materials volume 6, Article number: 55. (pdf-file)
  33. Semenok D.V., Kruglov I.A., Savkin I.A., Kvashnin A.G., Oganov A.R. (2020).
    On distributions of superconductivity in metal hydrides. Curr. Opin. Solid State & Mater. Sci. 24, 100808. (pdf-file)
  34. Rybkovskiy D.V., Kvashnin A.G., Kvashnina Yu.A., Oganov A.R. (2020).
    Structure, stability, and mechanical properties of boron-rich Mo-B phases: a computational study.
    J. Phys. Chem. Lett. 11, 2393-2401. (pdf-file)
  35. Zhou D., Semenok D.V., Duan D., Xie H., Chen W., Huang X., Li X., Liu B., Oganov A.R., Cui T. (2020).
    Superconducting praseodymium superhydrides. Science Advances 6, eaax6849. (pdf-file)
  36. Zhou D., Semenok D.V., Xie H., Huang X., Duan D., Aperis A., Openeer P.M., Galasso M., Kartsev A.I., Kvashnin A.G., Oganov A.R., Cui T. (2020).
    High-pressure synthesis of magnetic neodymium superhydrides.
    J. Am. Chem. Soc. 142, 2803-2811. (pdf-file)
  37. Semenok D.V., Kvashnin A.G., Ivanova A.G., Svitlyk V., Fominski V.Yu., Sadakov A.V., Sobolevskiy O.A., Pudalov V.M., Troyan I.A., Oganov A.R. (2020).
    Superconductivity at 161 K in thorium hydride ThH10: synthesis and properties.
    Materials Today 33, 36-44. (pdf-file)
  38. Salke N., Davari Esfahani M.M., Zhang Y., Kruglov I.A., Zhou J., Wang Y., Greenberg E., Prakapenka V.B., Liu J., Oganov A.R., Lin J.-F. (2019).
    Synthesis of clathrate cerium superhydride CeH9 below 100 GPa with atomic hydrogen sublattice.
    Nature Comm. 10, 4453 (pdf-file)
  39. Oganov A.R., Pickard C.J., Zhu Q., Needs R.J. (2019).
    Structure prediction drives materials discovery.
    Nature Rev. Mater. 4, 331-348. (pdf-file)
  40. Niu H., Niu S., Oganov A.R. (2019). Simple and accurate model of fracture toughness of solids. J. Appl. Phys. 125, 065105 (pdf-file)
  41. Lepeshkin S.V., Baturin V.S., Uspenskii Yu.A., Oganov A.R. (2019).
    Method for simultaneous prediction of atomic structure of nanoclusters in a wide area of compositions.
    J. Phys. Chem. Lett. 10, 102-106. (pdf-file)
  1. Kruglov I.A., Kvashnin A.G., Goncharov A.F., Oganov A.R., Lobanov S.S., Holtgrewe N., Jiang S., Prakapenka V.B., Greenberg E., Yanilkin A.V. (2018).
    Uranium polyhydrides at moderate pressures: Prediction, synthesis, and expected superconductivity.
    Sci. Adv., 4, eaat9776. (pdf-file)
  2. Bushlanov P.V., Blatov V.A., Oganov A.R. (2019). Topology-based crystal structure generator. Comp.Phys. Comm. 236,1-7. (pdf-file)
  3. Oganov A.R. (2018).
    Crystal structure prediction: reflections on present status and challenges.
    Faraday Discussions 211, 643-660. (pdf-file)
  4. Kvashnin A.G., Semenok D.V., Kruglov I.A., Wrona I.A., Oganov A.R. (2018).
    High-temperature superconductivity in a Th-H system under pressure conditions. ACS Appl. Mater. Interf. 10, 43809-43816. (pdf-file)
  5. Streltsov S.V., Roizen V.V., Ushakov A.V., Oganov A.R., Khomskii D.I. (2018).
    Old puzzle of incommensurate crystal structure of calaverite AuTe2 and predicted stability of novel AuTe compound.
    Proc. Natl. Acad. Sci.115, 9945-9950.(pdf-file)
  6. Frolov T., Setyawan W., Kurtz R., Marian J., Oganov A.R., Rudd R.E., Zhu Q. (2018).
    Grain boundary phases in bcc metals.
    Nanoscale, 10, 8253 (pdf-file)
  7. Semenok D.V., Kvashnin A.G., Kruglov I.A., and Oganov A.R. (2018).
    Actinium Hydrides AcH10, AcH12, and AcH16 as High-Temperature Conventional Superconductors.
    J. Phys. Chem. Lett., 9, 1920–1926 (pdf-file)
  8. Shtukenberg A.G., Zhu Q., Carter D.J., Vogt L., Hoja, J., Schneider, E., Song H.X., Pokroy B., Polishchuk I., Tkatchenko A., Oganov A.R., Rohl A.L., Tuckerman M.E., Kahr D. (2017).
    Powder diffraction and crystal structure prediction identify four new coumarin polymorphs.
    Chem. Sci., 8, 4926-4940 (pdf-file)
  9. Dong X., Oganov A. R., Goncharov A. F., Stavrou E., Lobanov S., Saleh G., Qian G.R., Zhu Q., Gatti C., Deringer V. L., Dronskowski R., Zhou X.-F., Prakapenka V. B., Konôpková Z., Popov I. A., Boldyrev A. I., Wang H.-T. (2017).
    A stable compound of helium and sodium at high pressure.
    Nature Chemistry, 9, 440–445 (pdf-file)
  10. Stavrou E., Lobanov S.V., Dong H.F., Oganov A.R., Prakapenka V.B., Konopkova Z., Goncharov A.F. (2016).
    Synthesis of ultra-incompressible sp3-hybridized carbon nitride with 1:1 stoichiometry.
    Chem. Mater. 28, 6925-6033 (pdf-file)
  11. Lepeshkin S., Baturin V., Tikhonov E., Matsko N., Uspenskii Y., Naumova A., Feya O., Schoonen M.A., Oganov A.R. (2016).
    Super-oxidation of silicon nanoclusters: magnetism and reactive oxygen species at the surface.
    Nanoscale 8, 1816-1820 (pdf-file)
  12. An Q., Reddy K.M., Dong H.F., Chen M.-W., Oganov A.R., Goddard, W.A. III. (2016).
    Nanotwinned Boron Suboxide (B6O): New Ground State of B6O.
    Nano Letters 16, 4236-4242 (pdf-file)
  13. Zhu Q., Shtukenberg A., Carter D., Yu T.Q., Yang J.X., Chen M., Raiteri P., Oganov A.R., Pokroy B., Polishchuk I., Bygrave P., Day G., Rohl A., Tuckerman M., Kahr B. (2016).
    Resorcinol Crystallization from the Melt: A New Ambient Phase and New “Riddles”.
    J. Am. Chem. Soc. 138, 4881-4889 (pdf-file)
  14. Yu X.H., Oganov A.R., Popov I.A., Qian G.R., Boldyrev I.A. (2016).
    Antiferromagnetic stabilization in Ti8O12 cluster.
    Angew. Chem. Int. Ed. 55, 1699. (pdf-file)
  15. Mannix A. J., Zhou X.-F., Kiraly B., Wood J. D., Alducin D., Myers B. D., Liu X., Fisher B. L., Santiago U., Guest J. R., Yacaman M. J., Ponce A., Oganov A. R., Hersam M. C. and Guisinger N. P. (2015).
    Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs.
    Science 350, 1513-1516. (pdf-file)
  16. Wang Z.H., Zhou X.F., Zhang X., Zhu Q., Dong H.F., Zhao M., Oganov A.R. (2015).
    Phagraphene: A Low-Energy Graphene Allotrope Composed of 5–6–7 Carbon Rings with Distorted Dirac Cones.
    Nano Letters 15, 6182-6186. (pdf-file)
  17. Li Y.L., Wang S.N., Oganov A. R., Gou H., Smith J.S., Strobel T.A. (2015).
    Investigation of exotic stable calcium carbides using theory and experiment.
    Nature Communications 6, 6974. (pdf-file)
  18. Zeng Z.D., Zeng Q.F., Liu N., Oganov A.R., Zeng Q.S., Cui Y., Mao W.L. (2015).
    A new phase of Li15Si4 synthesized under pressure.
    Adv. Energy Mat. 5, 1500214. (pdf-file)
  19. Zhu, Q., Oganov, A. R., & Zeng, Q. F. (2015).
    Formation of stoichiometric CsFn compounds.
    Sci. Rep. 5 , 7875. (pdf-file)
  20. Wang Q.G., Oganov A.R., Zhu Q., Zhou X.F. (2014).
    Novel reconstructions of the (110) surface of rutile TiO2 predicted by an evolutionary method.
    Phys. Rev. Lett. 113, 266101. (pdf-file)
  21. Zhou, X.F., Oganov, A. R., Shao, X., Zhu, Q., and Wang, H.T. (2014).
    Unexpected reconstruction of the α-boron (111) surface.
    Phys. Rev. Lett. 113 , 176101. (pdf-file)
  22. Sharma, V., Wang, C., Lorenzini, R. G., Ma, R., Zhu, Q., Sinkovits, D. W., Pilania, G., Oganov, A. R., Kumar, S., Sotzing, G. A., Boggs S.A., Ramprasad R. (2014).
    Rational design of all organic polymer dielectrics.
    Nature Communication 5 , art. 4845. (pdf-file)
  23. Zhou X.F., Dong X., Oganov A.R., Zhu Q., Tian Y. and Wang H.T. (2014).
    Semimetallic two-dimensional boron allotrope with massless Dirac fermions
    Phys. Rev. Lett.112, 085502. (pdf-file)
  24. Zhang W.W., Oganov A.R., Goncharov A.F., Zhu Q., Boulfelfel S.E., Lyakhov A.O., Stavrou E., Somayazulu M., Prakapenka V.B., Konopkova Z. (2013).
    Unexpected stoichiometries of stable sodium chlorides.
    Science 342, 1502-1505. (pdf-file)
  25. Zhu Q., Li L., Oganov A.R., Allen P.B. (2013).
    Evolutionary method for prediction of surface reconstructions with variable stoichiometry.
    Phys. Rev. B87, 195317. (pdf-file)
  26. Qian G.R., Dong X., Zhou X.-F., Tian Y., Oganov A.R., Wang H.-T. (2013).
    Variable cell nudged elastic band method for studying solid-solid structural phase transitions.
    Comput. Phys. Comm. 184, 2111-2118. (pdf-file)
  27. Zhu Q., Oganov A.R., Lyakhov A.O. (2013).
    Novel stable compounds in the Mg-O system under high pressure.
    Phys. Chem. Chem. Phys. 15, 7696-7700. (pdf-file)
  28. Hu C.H., Oganov A.R., Zhu Q., Qian G.R., Frapper G., Lyakhov A.O., Zhou H.Y. (2013).
    Pressure-Induced Stabilization and Insulator-Superconductor Transition of BH.
    Phys. Rev. Lett. 110, 165504. (pdf-file)
  29. Lyakhov A.O., Oganov A.R., Stokes H.T., Zhu Q. (2013).
    New developments in evolutionary structure prediction algorithm USPEX.
    Comp. Phys. Comm. 184, 1172-1182 (pdf-file)
  30. Zhu Q., Jung D.Y., Oganov A.R., Gatti C., Glass C.W., Lyakhov A.O. (2013).
    Stability of xenon oxides at high pressures.
    Nature Chemistry 5 , 61-65. (pdf-file)
  31. Oganov A.R., Lyakhov A.O., Valle M. (2011).
    How evolutionary crystal structure prediction works - and why.
    Acc. Chem. Res. 44, 227-237 (pdf-file)
  32. Li Q., Ma Y., Oganov A.R., Wang H., Wang H., Xu Y., Cui T., Mao H.-K., Zou G. (2009).
    Superhard monoclinic polymorph of carbon.
    Phys. Rev. Lett. 102, 175506. (pdf-file)
  33. Oganov A.R., Valle M. (2009).
    How to quantify energy landscapes of solids.
    J. Chem. Phys. 130, 104504. (pdf-file)
  34. Ma Y., Eremets M.I., Oganov A.R., Xie Y., Trojan I., Medvedev S., Lyakhov A.O., Valle M., Prakapenka V. (2009).
    Transparent dense sodium.
    Nature 458, 182-185.
    (Supporting Online Material) (pdf-file)
  35. Oganov A.R., Chen J., Gatti C., Ma Y.-Z., Ma Y.-M., Glass C.W., Liu Z., Yu T., Kurakevych O.O., Solozhenko V.L. (2009).
    Ionic high-pressure form of elemental boron.
    Nature 457, 863-867. (Supporting Online Material) (pdf-file)
  36. Glass C.W., Oganov A.R., Hansen N. (2006).
    USPEX – evolutionary crystal structure prediction.
    Comp. Phys. Comm. 175, 713-720 (pdf-file)
  37. Oganov A.R., Glass C.W. (2006).
    Crystal structure prediction using ab initio evolutionary techniques: principles and applications.
    J. Chem. Phys. 124, art. 244704 (pdf-file)
  38. Martonák R., Donadio D., Oganov A.R., Parrinello M. (2006).
    Crystal structure transformations in SiO2 from classical and ab initio metadynamics.
    Nature Materials 5, 623-626 (pdf-file)
  39. Oganov A.R., Glass C.W., Ono S. (2006).
    High-pressure phases of CaCO3: crystal structure prediction and experiment.
    Earth Planet. Sci. Lett. 241, 95-103 (pdf-file)
  40. Oganov A.R., Martonák R., Laio A., Raiteri P., Parrinello M. (2005).
    Anisotropy of Earth’s D” layer and stacking faults in the MgSiO3 post-perovskite phase.
    Nature 438, 1142-1144 (pdf-file)
  41. Oganov A.R. & Ono S. (2004).
    Theoretical and experimental evidence for a post-perovskite phase of MgSiO3 in Earth's D" layer.
    Nature 430, 445-448. (pdf-file)
  42. Oganov A.R., Brodholt J.P., Price G.D. (2001).
    The elastic constants of MgSiO3 perovskite at pressures and temperatures of the Earth's mantle.
    Nature 411, 934-937. (pdf-file)

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