1. 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 journalArticlepeer-review

  2. 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 journalArticlepeer-review

  3. 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 journalArticlepeer-review

  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 journalArticlepeer-review

  5. 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 journalArticlepeer-review

  6. 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 journalArticlepeer-review

  7. 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 journalArticlepeer-review

  8. 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 journalArticlepeer-review

  9. 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 journalArticlepeer-review

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