Александр Сергеевич Дубок - Research output › Research Explorer

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2025
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
2024
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
2023
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

ID: 16148613