All Stories

  1. CrystalShift: A Versatile Command-Line Tool for Crystallographic Structural Data Analysis, Modification, and Format Conversion Prior to Solid-State DFT Calculations of Organic Crystals

    Article • Computation, June 2025, MDPI AG

    Dr Denis A. Rychkov

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

    Article • Crystals, March 2025, MDPI AG

    Dr Denis A. Rychkov

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

    Article • Crystals, April 2023, MDPI AG

    Dr Denis A. Rychkov

  4. Mechanical Amorphization of Chitosan with Different Molecular Weights

    Article • Polymers, October 2022, MDPI AG

    Dr Denis A. Rychkov

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

    Article • Crystals, August 2022, MDPI AG

    Dr Denis A. Rychkov

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

    Article • Crystals, April 2022, MDPI AG

    Dr Denis A. Rychkov

  7. Low Temperature and High-Pressure Study of Bending L-Leucinium Hydrogen Maleate Crystals

    Article • Crystals, December 2021, MDPI AG

    Dr Denis A. Rychkov

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

    Article • Structural Chemistry, January 2021, Springer Science + Business Media

    Dr Denis A. Rychkov

  9. COMPARISON OF DIFFERENT COMPUTATIONAL APPROACHES FOR UNVEILING THE HIGH-PRESSURE BEHAVIOR OF ORGANIC CRYSTALS AT A MOLECULAR LEVEL. CASE STUDY OF TOLAZAMIDE POLYMORPHS

    Article • Journal of Structural Chemistry, September 2020, Pleiades Publishing Ltd

    Dr Denis A. Rychkov

  10. A Short Review of Current Computational Concepts for High-Pressure Phase Transition Studies in Molecular Crystals

    Article • Crystals, January 2020, MDPI AG

    Dr Denis A. Rychkov

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

    Article • Materials Today Proceedings, January 2020, Elsevier

    Dr Denis A. Rychkov

  12. A novel crystal form of metacetamol: the first example of a hydrated form

    Article • Acta Crystallographica Section C Structural Chemistry, October 2019, International Union of Crystallography

    Dr Denis A. Rychkov

  13. The last part of experimental work on tolazamide - low-temperature study

    Article • Acta Crystallographica Section C Structural Chemistry, April 2019, International Union of Crystallography

    Dr Denis A. Rychkov

  14. This is the first example of a molecular crystal that has plasticity at cryogenic temperatures.

    Article • Acta Crystallographica Section B Structural Science Crystal Engineering and Materials, March 2019, International Union of Crystallography

    Dr Denis A. Rychkov

  15. Spin Selectivity in Chiral Linked Systems

    Article • Chemistry - A European Journal, February 2018, Wiley

    Dr Denis A. Rychkov

  16. Polymorphism in Furosemide Solvates and their transitions to different Furosemide Polymorphs

    Article • Crystal Growth & Design, March 2017, American Chemical Society (ACS)

    Dr Denis A. Rychkov

  17. Why phase transitions in organic crystals happens under pressure - detailed reasons

    Article • Physical Chemistry Chemical Physics, January 2017, Royal Society of Chemistry

    Dr Denis A. Rychkov

  18. How pressure influence on two polymorphs of tolazamide - experimental and computational work

    Article • CrystEngComm, January 2017, Royal Society of Chemistry

    Dr Denis A. Rychkov

  19. How to crystallize a new polymorph of metacetamol

    Article • Journal of Thermal Analysis and Calorimetry, November 2016, Springer Science + Business Media

    Dr Denis A. Rychkov

  20. Serotonin DFT study. Conformation and crystal structure

    Article • Computational and Theoretical Chemistry, July 2016, Elsevier

    Dr Denis A. Rychkov

  21. Structure-forming units of amino acid maleates. Case study ofL-valinium hydrogen maleate

    Article • Acta Crystallographica Section B Structural Science Crystal Engineering and Materials, January 2016, International Union of Crystallography

    Dr Denis A. Rychkov

  22. Crystallographic education in the 21st century

    Article • Journal of Applied Crystallography, October 2015, International Union of Crystallography

    Dr Denis A. Rychkov

  23. Isoenergetic polymorphs of Tolazamide

    Article • Chemistry - A European Journal, September 2015, Wiley

    Dr Denis A. Rychkov

  24. New L-amino acid maleates with interesting structure and behaviour

    Article • Acta Crystallographica Section C Structural Chemistry, June 2015, International Union of Crystallography

    Dr Denis A. Rychkov

  25. A New Polymorph of Metacetamol

    Article • CrystEngComm, January 2015, Royal Society of Chemistry

    Dr Denis A. Rychkov, Elena Boldyreva

  26. How to grow single crystals of small organic molecules. Easy, fast, efficient.

    Article • Journal of Applied Crystallography, June 2014, International Union of Crystallography

    Dr Denis A. Rychkov

  27. All serotonin structures in crystals + new one

    Article • Acta Crystallographica Section C Crystal Structure Communications, August 2013, International Union of Crystallography

    Dr Denis A. Rychkov