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  1. What Is More Important When Calculating the Thermodynamic Properties of Organic Crystals, Density Functional, Supercell, or Energy Second-Order Derivative Method Choice?

    Dubok, A. S. & Rychkov, D. A., 16 Mar 2025, In: Crystals. 15, 3, 274.

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

  2. Resolving ambiguity: an integrated approach to bending geometry identification in flexible organic crystals

    Dubok, A. S., Tretyakova, I. S., Sonina, A. A., Arkhipov, S. G., Podgorbunskikh, E. M. & Rychkov, D. A., 31 Jul 2026, In: Journal of Applied Crystallography. 59, 4, p. 1294-1306 13 p.

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

  3. 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

  4. 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

ID: 16148613