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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., 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

  16. 2019

  17. A novel crystal form of metacetamol: The first example of a hydrated form

    Zemtsova, V. M., Fedorov, A. Y., Fedorova, E. A., Boa, C., Arkhipov, S. G., Rychkov, D. A., Minkov, V. S., Pulhamd, C. R. & Boldyreva, E. V., 1 Nov 2019, In: Acta Crystallographica Section C: Structural Chemistry. 75, p. 1465-1470 6 p.

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

  18. Simple crystallographic model for anomalous plasticity of L-Leucinium hydrogen maleate crystals

    Nguyen, T. T., Arkhipov, S. G. & Rychkov, D. A., 1 Oct 2019, In: Materials Today: Proceedings. 25, p. 412-415 4 p.

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

  19. Completing the picture of tolazamide polymorphism under extreme conditions: A low-temperature study

    Fedorov, A. Y., Rychkov, D. A., Losev, E. A., Drebushchak, T. N. & Boldyreva, E. V., 1 May 2019, In: Acta Crystallographica Section C: Structural Chemistry. 75, 5, p. 598-608 11 p.

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

  20. A large anisotropic plasticity of l-leucinium hydrogen maleate preserved at cryogenic temperatures

    Arkhipov, S. G., Losev, E. A., Nguyen, T. T., Rychkov, D. A. & Boldyreva, E. V., 1 Apr 2019, In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 75, 2, p. 143-151 9 p.

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

  21. 2018

  22. Spin Selectivity in Chiral Linked Systems

    Ageeva, A. A., Khramtsova, E. A., Magin, I. M., Rychkov, D. A., Purtov, P. A., Miranda, M. A. & Leshina, T. V., 12 Mar 2018, In: Chemistry - A European Journal. 24, 15, p. 3882-3892 11 p.

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

  23. 2017

  24. First Evidence of Polymorphism in Furosemide Solvates

    Beloborodova, A. A., Minkov, V. S., Rychkov, D. A., Rybalova, T. V. & Boldyreva, E. V., 3 May 2017, In: Crystal Growth and Design. 17, 5, p. 2333-2341 9 p.

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

  25. Effect of pressure on two polymorphs of tolazamide: Why no interconversion?

    Fedorov, A. Y., Rychkov, D. A., Losev, E. A., Zakharov, B. A., Stare, J. & Boldyreva, E. V., 28 Apr 2017, In: CrystEngComm. 19, 16, p. 2243-2252 10 p.

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

  26. Pressure-driven phase transition mechanisms revealed by quantum chemistry: L-serine polymorphs

    Rychkov, D. A., Stare, J. & Boldyreva, E. V., 7 Mar 2017, In: Physical Chemistry Chemical Physics. 19, 9, p. 6671-6676 6 p.

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

  27. Cooling rate “window” in the crystallization of metacetamol form II

    Drebushchak, V. A., McGregor, L. & Rychkov, D. A., 1 Feb 2017, In: Journal of Thermal Analysis and Calorimetry. 127, 2, p. 1807-1814 8 p.

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

  28. 2016

  29. Towards an understanding of crystallization from solution. DFT studies of multi-component serotonin crystals

    Rychkov, D. A., Hunter, S., Kovalskii, V. Y., Lomzov, A. A., Pulham, C. R. & Boldyreva, E. V., 15 Jul 2016, In: Computational and Theoretical Chemistry. 1088, p. 52-61 10 p.

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

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