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  1. 2024

  2. Deformcell: a Python Script to Simplify and Fasten Mechanical Properties Calculations of Molecular Crystals in VASP Package for Research and Teaching Purposes

    Dubok, A. S. & Rychkov, D. A., 1 Sept 2024, In: Journal of Structural Chemistry. 65, 9, p. 1784-1793 10 p.

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

  3. 2023

  4. Computational study of chemical phenol glycosylation mechanism in the gas phase for modeling direct glycoconjugate formation in raw plant material

    Tretyakova, I. S., Rychkov, D. A., Kil'met'ev, A. S. & Lomovskiy, I. O., Jul 2023, In: Computational and Theoretical Chemistry. 1225, 7 p., 114182.

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

  5. Relative Stability of Pyrazinamide Polymorphs Revisited: A Computational Study of Bending and Brittle Forms Phase Transitions in a Broad Temperature Range

    Dubok, A. S. & Rychkov, D. A., Apr 2023, In: Crystals. 13, 4, 617.

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

  6. 2022

  7. Mechanical Amorphization of Chitosan with Different Molecular Weights

    Podgorbunskikh, E., Kuskov, T., Rychkov, D., Lomovskii, O. & Bychkov, A., Oct 2022, In: Polymers. 14, 20, 4438.

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

  8. Computational Investigation of the Stability of Di-p-Tolyl Disulfide “Hidden” and “Conventional” Polymorphs at High Pressures

    Smirnova, V. Y., Iurchenkova, A. A. & Rychkov, D. A., Aug 2022, In: Crystals. 12, 8, 1157.

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

  9. Correction: Skakunova et al. Low Temperature and High-Pressure Study of Bending L-Leucinium Hydrogen Maleate Crystals (Crystals 2021, 11, 1575)

    Skakunova, K. D. & Rychkov, D. A., May 2022, In: Crystals. 12, 5, 580.

    Research output: Contribution to journal › Comment/debate › peer-review

  10. 2021

  11. Low temperature and high-pressure study of bending L-leucinium hydrogen maleate crystals

    Skakunova, K. D. & Rychkov, D. A., Dec 2021, In: Crystals. 11, 12, 1575.

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

  12. The unique structure of [(C4H9)4N]3[Pb(NO3)5]—one step forward in understanding transport properties in tetra-n-butylammonium-based solid electrolytes

    Asanbaeva, N. B., Rychkov, D. A., Tyapkin, P. Y., Arkhipov, S. G. & Uvarov, N. F., Jun 2021, In: Structural Chemistry. 32, 3, p. 1261-1267 7 p.

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

  13. 2020

  14. Comparison of different computational approaches for unveiling the high-pressure behavior of organic crystals at a molecular level. Case study of tolazamide polymorphs

    Fedorov, A. Y. & Rychkov, D. A., 1 Sept 2020, In: Journal of Structural Chemistry. 61, 9, p. 1356-1366 11 p.

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

  15. A short review of current computational concepts for high-pressure phase transition studies in molecular crystals

    Rychkov, D. A., Feb 2020, In: Crystals. 10, 2, 12 p., 81.

    Research output: Contribution to journal › Review article › peer-review

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