1 - 10 out of 25Page size: 10
  1. 2015

  2. 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

  3. 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

  4. 2016

  5. 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

  6. 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

  7. 2017

  8. 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

  9. 2018

  10. 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

  11. 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

  12. 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

  13. 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

  14. 2019

  15. 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

Previous 1 2 3 Next

ID: 3457311