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  1. 2024

  2. Repulsive Lateral Interaction of Water Molecules at the Initial Stages of Adsorption in Microporous AlPO4-11 According to 27Al NMR and DFT

    Яковлев, И. В., Шубин, А. А., Папуловский, Е. С., Toktarev, A. V. & Лапина, О. Б., 26 Mar 2024, In: Langmuir. 40, 12, p. 6384-6393 10 p.

    Research output: Contribution to journal › Article › peer-review

  3. 2022

  4. Structure and Properties of Exotic Nano- and Mesodiamonds with Pentagonal Symmetry

    Tomilin, F. N., Pomogaev, V. A., Melchakova, Y. A., Artyushenko, P. V., Shubin, A. A., Volodin, A. M., Zilberberg, I. L. & Avramov, P. V., Mar 2022, In: Russian Physics Journal. 64, 11, p. 2046-2051 6 p.

    Research output: Contribution to journal › Article › peer-review

  5. Interactions of C2H6 and C2H4 with the homologous series [CnMIM][BF4] ionic liquids at high pressure studied by in situ ATR-FTIR spectroscopy

    Kovalev, E. P., Shalygin, A. S., Shubin, A. A., Kozhevnikov, I. V., Prikhod'ko, S. A., Adonin, N. Y., Kazarian, S. G. & Martyanov, O. N., 15 Feb 2022, In: Journal of Molecular Liquids. 348, 118082.

    Research output: Contribution to journal › Article › peer-review

  6. 2021

  7. A novel adsorption-based method for revealing the Si distribution in SAPO molecular sieves: The case of SAPO-11

    Grenev, I. V., Klimkin, N. D., Shamanaeva, I. A., Shubin, A. A., Chetyrin, I. A. & Gavrilov, V. Y., Dec 2021, In: Microporous and Mesoporous Materials. 328, 111503.

    Research output: Contribution to journal › Article › peer-review

  8. The impact of framework flexibility and defects on the water adsorption in CAU-10-H

    Grenev, I. V., Shubin, A. A., Solovyeva, M. V. & Gordeeva, L. G., 7 Oct 2021, In: Physical Chemistry Chemical Physics. 23, 37, p. 21329-21337 9 p.

    Research output: Contribution to journal › Article › peer-review

  9. Investigation of vanadia-alumina catalysts with solid-state NMR spectroscopy and DFT

    Papulovskiy, E., Shubin, A. A. & Lapina, O. B., 21 Sept 2021, In: Physical Chemistry Chemical Physics. 23, 35, p. 19352-19363 12 p.

    Research output: Contribution to journal › Article › peer-review

  10. Crystal structure of copper perchlorophthalocyanine analysed by 3D electron diffraction

    Gorelik, T. E., Habermehl, S., Shubin, A. A., Gruene, T., Yoshida, K., Oleynikov, P., Kaiser, U. & Schmidt, M. U., 1 Aug 2021, In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 77, p. 662-675 14 p.

    Research output: Contribution to journal › Article › peer-review

  11. The FeIV-O• oxyl unit as a key intermediate in water oxidation on the FeIII-hydroxide: DFT predictions

    Shubin, A. A., Kovalskii, V. Y., Ruzankin, S. P., Zilberberg, I. L., Parmon, V. N., Tomilin, F. N. & Avramov, P. V., 15 May 2021, In: International Journal of Quantum Chemistry. 121, 10, e26610.

    Research output: Contribution to journal › Article › peer-review

  12. Ln(iii) complexes with a chiral 1H-pyrazolo[3,4-b]pyridine derivative fused with a (−)-α-pinene moiety: synthesis, crystal structure, and photophysical studies in solution and in the solid state

    Bryleva, Y. A., Ustimenko, Y. P., Plyusnin, V. F., Mikheilis, A. V., Shubin, A. A., Glinskaya, L. A., Komarov, V. Y., Agafontsev, A. M. & Tkachev, A. V., 28 Jan 2021, In: New Journal of Chemistry. 45, 4, p. 2276-2284 9 p.

    Research output: Contribution to journal › Article › peer-review

  13. Entropy driven preference for alkene adsorption at the pore mouth as the origin of pore-mouth catalysis for alkane hydroisomerization in 1D zeolites

    Shubin, A. A. & Zilberberg, I. L., 21 Jan 2021, In: Catalysis Science and Technology. 11, 2, p. 563-574 12 p.

    Research output: Contribution to journal › Article › peer-review

  14. 2020

  15. Integral Intensity of the EPR Signal of NO Molecules Adsorbed on Lewis Acid Sites of Oxide Systems as a Function of Surface Coverage

    Shubin, A. A. & Volodin, A. M., 1 Oct 2020, In: Applied Magnetic Resonance. 51, 9-10, p. 993-1003 11 p.

    Research output: Contribution to journal › Article › peer-review

  16. Condensation of ammonium niobium oxalate studied by NMR crystallography and X-ray powder diffraction

    Papulovskiy, E., Kirik, S. D., Khabibulin, D. F., Shubin, A. A., Bondareva, V. M., Samoilo, A. S. & Lapina, O. B., 1 Sept 2020, In: Catalysis Today. 354, p. 26-35 10 p.

    Research output: Contribution to journal › Article › peer-review

  17. Oxygen transport in Pr nickelates: Elucidation of atomic-scale features

    Sadykov, V., Pikalova, E., Eremeev, N., Shubin, A., Zilberberg, I., Prosvirin, I., Sadovskaya, E. & Bukhtiyarov, A., 1 Jan 2020, In: Solid State Ionics. 344, 9 p., 115155.

    Research output: Contribution to journal › Article › peer-review

  18. 2019

  19. Photophysical processes for phenanthroline-menthol ligand and its Eu(III) and Tb(III) complexes in solution

    Plyusnin, V. F., Mikheylis, A. V., Kupryakov, A. S., Shubin, A. A., Grivin, V. P., Bryleva, J. A. & Larionov, S. V., 1 Oct 2019, In: Journal of Luminescence. 214, 8 p., 116548.

    Research output: Contribution to journal › Article › peer-review

  20. Photochemistry of dithiophosphinate Ni(S2P(i-Bu)2)2 complex in CCl4. Transient species and TD-DFT calculations

    Solovyev, A. I., Mikheylis, A. V., Plyusnin, V. F., Shubin, A. A., Grivin, V. P., Larionov, S. V., Tkachenko, N. V. & Lemmetyinen, H., 1 Aug 2019, In: Journal of Photochemistry and Photobiology A: Chemistry. 381, 11 p., 111857.

    Research output: Contribution to journal › Article › peer-review

  21. Практикум по физической химии НГУ. Химическая термодинамика и кинетика. Ч. 1. Химическая термодинамика.

    Рогов, В. А., Антонов, А. А., Арзуманов, С. С., Грекова, А. Д., Зеленина, Л. Н., Мельгунов, М. С., Минюкова, Т. П., Нецкина, О. В., Пармон, В. Н., Пархомчук, Е. В., Рудаков, Е. С., Степанов, А. Г., Трухан, С. Н. & Шубин, А. А., 2019, Новосибирск: ИПЦ НГУ. 270 p.

    Research output: Book/Report › Book › Education › peer-review

  22. 2018

  23. Pyrolysis of the Cellulose Fraction of Biomass in the Presence of Solid Acid Catalysts: An Operando Spectroscopy and Theoretical Investigation

    Keturakis, C. J., Lapina, O. B., Shubin, A. A., Terskikh, V. V., Papulovskiy, E., Yudaev, I. V., Paukshtis, E. A. & Wachs, I. E., 11 Dec 2018, In: ChemSusChem. 11, 23, p. 4044-4059 16 p.

    Research output: Contribution to journal › Article › peer-review

  24. Influence of Polarity and Ionic Strength on Intramolecular Spin Exchange in a Short Nitroxide Biradical, Containing Sulphur Atom in the Bridge

    Kokorin, A. I., Mladenova-Kattnig, B. Y., Gromov, O. I., Shubin, A. A., Zaripov, R. B. & Grampp, G., 1 Oct 2018, In: Applied Magnetic Resonance. 49, 10, p. 1059-1073 15 p.

    Research output: Contribution to journal › Article › peer-review

  25. Hydrogen abstraction from methane on cristobalite supported W and Mn oxo complexes: A DFT study

    Shubin, A., Zilberberg, I., Ismagilov, I., Matus, E., Kerzhentsev, M. & Ismagilov, Z., 1 Feb 2018, In: Molecular Catalysis. 445, p. 307-315 9 p.

    Research output: Contribution to journal › Article › peer-review

  26. Oxidation of Water to Molecular Oxygen by One-Electron Oxidants on Transition Metal Hydroxides

    Chikunov, A. S., Taran, O. P., Shubin, A. A., Zilberberg, I. L. & Parmon, V. N., 1 Jan 2018, In: Kinetics and Catalysis. 59, 1, p. 23-47 25 p.

    Research output: Contribution to journal › Article › peer-review

  27. 2017

  28. 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

    Kovalskii, V., Shubin, A., Chen, Y., Ovchinnikov, D., Ruzankin, S. P., Hasegawa, J., Zilberberg, I. & Parmon, V. N., 1 Jul 2017, In: Chemical Physics Letters. 679, p. 193-199 7 p.

    Research output: Contribution to journal › Article › peer-review

  29. 2016

  30. DFT predictions for hydrogen atom transfer at the [FeO]2+ group: A distinct activity of the oxyl state FeIII-O•

    Zilberberg, I. L., Shubin, A. A., Ruzankin, S. P., Kovalskii, V. Y., Ovchinnikov, D. A. & Parmon, V. N., 6 Dec 2016, International Conference of Computational Methods in Sciences and Engineering 2016, ICCMSE 2016. Kalogiratou, Z., Simos, T. E., Monovasilis, T., Simos, T. E. & Simos, T. E. (eds.). American Institute of Physics Inc., 020027. (AIP Conference Proceedings; vol. 1790).

    Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Research › peer-review

  31. Analysis of spin-polarized solutions in the basis set of paired orbitals

    Ruzankin, S. P., Shubin, A. A., Koval’skii, V. Y. & Zil’berberg, I. L., 1 Sept 2016, In: Journal of Structural Chemistry. 57, 5, p. 997-1014 18 p.

    Research output: Contribution to journal › Article › peer-review

  32. 2015

  33. Distinct activity of the oxyl FeIII-O• group in the methane dissociation by activated iron hydroxide: DFT predictions

    Shubin, A. A., Ruzankin, S. P., Zilberberg, I. L. & Parmon, V. N., 1 Nov 2015, In: Chemical Physics Letters. 640, p. 94-100 7 p.

    Research output: Contribution to journal › Article › peer-review

  34. The routes of association of (hydro)oxo centers on iron hydroxide at the water oxidation process: DFT predictions

    Shubin, A. A., Ruzankin, S. P., Zilberberg, I. L., Taran, O. P. & Parmon, V. N., 5 Jan 2015, In: Chemical Physics Letters. 619, p. 126-132 7 p.

    Research output: Contribution to journal › Article › peer-review

ID: 3457311