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  1. 2025

  2. База данных физико-механических и термодинамических свойств никель-кобальт-хромовых Ni-Co-Cr сплавов, рассчитанных с помощью программного пакета на основе межатомного потенциала MEAM

    Художитков, А. Э. & Колоколов, Д. И., 9 Dec 2025, Роспатент - Федеральная служба по интеллектуальной собственности, Patent No. 2025625919, 26 Nov 2025, Priority date 26 Nov 2025, Priority No. 2025625583

    Research output: Patent › Database registration

  3. Программа для оптимизации параметров межатомного потенциала для твердых тел на основе известных свойств

    Художитков, А. Э. & Колоколов, Д. И., 10 Nov 2025, Роспатент - Федеральная служба по интеллектуальной собственности, Patent No. 2025690566, 23 Oct 2025, Priority date 23 Oct 2025, Priority No. 2025689179

    Research output: Patent › Software registration

  4. Controlling the Melting Temperatures and Ion Dynamics of Carboxy-Functionalized Ionic Liquids

    Khudozhitkov, A. E., Hunger, L., Al Sheakh, L., Stepanov, A. G., Kolokolov, D. I. & Ludwig, R., 6 Nov 2025, In: The journal of physical chemistry. B. 129, 44, p. 11557-11563 7 p.

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

  5. Dynamics, Phase Transitions, and Hydrogen Bonding Motifs in Protic Ionic Liquids: Cations Make the Difference

    Khudozhitkov, A. E., Stange, P., Stepanov, A. G., Schröder, D., Rauber, D., Philippi, F., Kolokolov, D. I. & Ludwig, R., 31 Jul 2025, In: Journal of Physical Chemistry B. 129, 30, p. 7796-7805 10 p.

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

  6. Surface self-assembled multi-level NiFe-LDHs integrated super-hydrophilic diaphragms enabling efficient alkaline water electrolysis for high current density and durability

    Luo, X., Yang, X., Zhou, Y., Xu, N., Yang, N., Zhang, Q., Liu, Y., Kolokolov, D. I. & Qiao, J., 15 Apr 2025, In: Chemical Engineering Journal. 510, 161697.

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

  7. An archetype of hydrogen bonding observed in cationic dimers of carboxy-functionalized ionic liquids by means of NMR solid state spectroscopy - reminiscent of salt bridges, peptides and DNA

    Khudozhitkov, A. E., Hunger, L., Al-Sheakh, L., Stepanov, A. G., Kolokolov, D. I. & Ludwig, R., 19 Mar 2025, In: Physical Chemistry Chemical Physics. 27, 12, p. 5949-5955 7 p.

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

  8. 2024

  9. Impact of the material hydroxylation on the possibility of pentane isomers separation by UiO-66 (Zr) MOF: A combined 2H NMR and MD study

    Khudozhitkov, A. E., Arzumanov, S. S., Kolokolov, D. I. & Stepanov, A. G., Nov 2024, In: Microporous and Mesoporous Materials. 379, 9 p., 113283.

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

  10. Understanding Alkene Interaction with Metal-Modified Zeolites: Thermodynamics and Mechanism of Bonding in the π-Complex

    Gabrienko, A. A., Kvasova, E. S., Kolokolov, D. I., Gorbunov, D. E., Nizovtsev, A. S., Lashchinskaya, Z. N. & Stepanov, A. G., 18 Mar 2024, In: Inorganic Chemistry. 63, 11, p. 5083-5097 15 p.

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

  11. 2023

  12. Ion Mobility in Hydroxy-Functionalized Ionic Liquids Depends on Cationic Clustering: Tracking the Alkyl Chain Length Behavior with Deuteron NMR Relaxation

    Khudozhitkov, A. E., Stepanov, A. G., Kolokolov, D. I. & Ludwig, R., 2 Nov 2023, In: The journal of physical chemistry. B. 127, 43, p. 9336-9345 10 p.

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

  13. Mobility and separation of linear and branched C5 alkanes in UiO-66 (Zr) probed by 2H NMR and MD simulations

    Khudozhitkov, A. E., Plekhanov, M. S., Arzumanov, S. S., Kolokolov, D. I. & Stepanov, A. G., 18 Oct 2023, In: Physical chemistry chemical physics : PCCP. 25, 40, p. 27516-27523 8 p.

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

  14. How Like-Charge Attraction Influences the Mobility of Cations in Hydroxyl-Functionalized Ionic Liquids

    Khudozhitkov, A. E., Paschek, D., Stepanov, A. G., Kolokolov, D. I. & Ludwig, R., 4 May 2023, In: The journal of physical chemistry letters. 14, 17, p. 4019-4025 7 p.

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

  15. 2022

  16. The Influence of Deuterium Isotope Effects on Structural Rearrangements, Ensemble Equilibria, and Hydrogen Bonding in Protic Ionic Liquids

    Khudozhitkov, A. E., Stange, P., Paschek, D., Stepanov, A. G., Kolokolov, D. I. & Ludwig, R., 5 Dec 2022, In: ChemPhysChem. 23, 23, e202200557.

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

  17. High-Temperature Quantum Tunneling and Hydrogen Bonding Rearrangements Characterize the Solid-Solid Phase Transitions in a Phosphonium-Based Protic Ionic Liquid

    Khudozhitkov, A. E., Donoshita, M., Stepanov, A. G., Philippi, F., Rauber, D., Hempelmann, R., Kitagawa, H., Kolokolov, D. I. & Ludwig, R., 22 Apr 2022, In: Chemistry - A European Journal. 28, 23, e202200257.

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

  18. Butane isomers mobility and framework dynamics in UiO-66 (Zr) MOF: Impact of the hydroxyl groups in zirconia cluster

    Khudozhitkov, A. E., Arzumanov, S. S., Kolokolov, D. I. & Stepanov, A. G., Apr 2022, In: Solid State Nuclear Magnetic Resonance. 118, 101784.

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

  19. Structure, hydrogen bond dynamics and phase transition in a model ionic liquid electrolyte

    Khudozhitkov, A. E., Stange, P., Stepanov, A. G., Kolokolov, D. I. & Ludwig, R., 11 Feb 2022, In: Physical chemistry chemical physics : PCCP. 24, 10, p. 6064-6071 8 p.

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

  20. 2021

  21. Molecular Insight into the Slow Dynamics of C4Hydrocarbons in the Zeolitic-Imidazole Framework (ZIF-8)

    Khudozhitkov, A. E., Zhao, H., Ghoufi, A., Arzumanov, S. S., Kolokolov, D. I., Maurin, G. & Stepanov, A. G., 21 Jul 2021, In: ACS Applied Materials and Interfaces. 13, 28, p. 33685-33692 8 p.

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

  22. Dynamics in nanoporous materials probed by 2H solid state NMR: estimation of self-diffusion coefficients

    Kolokolov, D. I., Freude, D. & Stepanov, A. G., Jul 2021, In: Adsorption. 27, 5, p. 841-855 15 p.

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

  23. UiO-66 (Zr) MOF as a Promising Material for Butane Isomers Separation: Evidence Based on the Analysis of the Adsorbed Alkanes Mobility by2H NMR and Molecular Dynamics Simulation

    Khudozhitkov, A. E., Arzumanov, S. S., Kolokolov, D. I. & Stepanov, A. G., 24 Jun 2021, In: Journal of Physical Chemistry C. 125, 24, p. 13391-13400 10 p.

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

  24. Selective Gas Uptake and Rotational Dynamics in a (3,24)-Connected Metal-Organic Framework Material

    Trenholme, W. J. F., Kolokolov, D. I., Bound, M., Argent, S. P., Gould, J. A., Li, J., Barnett, S. A., Blake, A. J., Stepanov, A. G., Besley, E., Easun, T. L., Yang, S. & Schröder, M., 10 Mar 2021, In: Journal of the American Chemical Society. 143, 9, p. 3348-3358 11 p.

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

  25. 2020

  26. Characterization of Proton Dynamics for the Understanding of Conduction Mechanism in Proton Conductive Metal-Organic Frameworks

    Kolokolov, D. I., Lim, D. W. & Kitagawa, H., Nov 2020, In: Chemical Record. 20, 11, p. 1297-1313 17 p.

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

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