2022


  • R. F. Ligorio, J. L. Rodrigues, A. Zuev, L. H. R. Dos Santos, A. Krawczuk „Benchmark of a functional-group database for distributed polarizability and dipole moment in biomolecules” Phys. Chem. Chem. Phys. 2022, 24, 29495-29504. doi.org/10.1039/d2cp04052b

  • K. Roztocki, F. Formalik, V. Bon, A. Krawczuk, P. Goszczycki, B. Kuchta, S. Kaskel, D. Matoga „Tuning Adsorption-Induced Responsiveness of a Flexible Metal-Organic Framework JUK-8 by Linker Halogenation” Chem. Mater. 2022, 34, 3430-3439. doi.org/10.1021/acs.chemmater.2c00249

  • R. F. Ligorio, J. L. Rodrigues, A. Krawczuk, L. H. R. Dos Santos „A building‐block database of distributed polarizabilities and dipole moments to estimate optical properties of biomacromolecules in isolation or in an explicitly solvated medium” J. Comput. Chem. 2022, https://doi.org/10.1002/jcc.27037