All Stories

  1. The Influence of the Halogen Atom Type on the Plasticity of Isostructural Bending Organic Crystals
  2. CrystalShift: A Versatile Command-Line Tool for Crystallographic Structural Data Analysis, Modification, and Format Conversion Prior to Solid-State DFT Calculations of Organic Crystals
  3. What Is More Important When Calculating the Thermodynamic Properties of Organic Crystals, Density Functional, Supercell, or Energy Second-Order Derivative Method Choice?
  4. Relative Stability of Pyrazinamide Polymorphs Revisited: A Computational Study of Bending and Brittle Forms Phase Transitions in a Broad Temperature Range
  5. Mechanical Amorphization of Chitosan with Different Molecular Weights
  6. Computational Investigation of the Stability of Di-p-Tolyl Disulfide “Hidden” and “Conventional” Polymorphs at High Pressures
  7. Correction: Skakunova et al. Low Temperature and High-Pressure Study of Bending L-Leucinium Hydrogen Maleate Crystals. Crystals 2021, 11, 1575
  8. Low Temperature and High-Pressure Study of Bending L-Leucinium Hydrogen Maleate Crystals
  9. The unique structure of [(C4H9)4N]3[Pb(NO3)5]—one step forward in understanding transport properties in tetra-n-butylammonium-based solid electrolytes
  10. COMPARISON OF DIFFERENT COMPUTATIONAL APPROACHES FOR UNVEILING THE HIGH-PRESSURE BEHAVIOR OF ORGANIC CRYSTALS AT A MOLECULAR LEVEL. CASE STUDY OF TOLAZAMIDE POLYMORPHS
  11. A Short Review of Current Computational Concepts for High-Pressure Phase Transition Studies in Molecular Crystals
  12. Simple crystallographic model for anomalous plasticity of L-Leucinium hydrogen maleate crystals
  13. A novel crystal form of metacetamol: the first example of a hydrated form
  14. The last part of experimental work on tolazamide - low-temperature study
  15. This is the first example of a molecular crystal that has plasticity at cryogenic temperatures.
  16. Spin Selectivity in Chiral Linked Systems
  17. Polymorphism in Furosemide Solvates and their transitions to different Furosemide Polymorphs
  18. Why phase transitions in organic crystals happens under pressure - detailed reasons
  19. How pressure influence on two polymorphs of tolazamide - experimental and computational work
  20. How to crystallize a new polymorph of metacetamol
  21. Serotonin DFT study. Conformation and crystal structure
  22. Structure-forming units of amino acid maleates. Case study ofL-valinium hydrogen maleate
  23. Crystallographic education in the 21st century
  24. Isoenergetic polymorphs of Tolazamide
  25. New L-amino acid maleates with interesting structure and behaviour
  26. A New Polymorph of Metacetamol
  27. How to grow single crystals of small organic molecules. Easy, fast, efficient.
  28. All serotonin structures in crystals + new one