Katedra Fizyki Teoretycznej i Astrofizyki

Wybrane publikacje pracowników Katedry

  1. J. C. Howard, S. Sowndarya S. V., I. M. Ansari, T. J. Mach, A. Baranowska-Łaczkowska, T. D. Crawford. On the performance of property-optimized basis sets for optical rotation with coupled cluster theory. J. Phys. Chem. A. 122, 5962 (2018).
  2. A. Baranowska-Łączkowska, K. Z. Łączkowski, C. Henriksen, B. Fernández. New basis set for the evaluation of specific rotation in flexible biological molecules in solution. J. Phys. Chem. A 122, 5477 (2018).
  3. K. Z.  Łączkowski, A. Baranowska-Łączkowska. Recent studies on the thalidomide and its derivatives. Future Med. Chem. 10, 2133 (2018).
  4. A. Baranowska-Łączkowska, B. Fernández. Accurate calculation of optically induced birefringences in chiral systems using efficient polarized basis sets. Phys. Chem. Chem. Phys. 20, 29717 (2018).
  5. J. Cytarska, A. Anisiewicz, A. Baranowska-Łączkowska, A. Sikora, J. Wietrzyk, K. Misiura, K. Z. Łączkowski. Triazene salts: Design, synthesis, ctDNA interaction, lipophilicity determination, DFT calculation, and antiproliferative activity against human cancer cell lines. Saudi Pharm. J. 27, 303 (2019).
  6. A. Baranowska-Łączkowska, K. Z. Łączkowski, B. Fernández. The role of substituents in optical rotation of oxiranes, oxetanes, and oxathietanes. J. Chem. Inf. Model. 59, 2103 (2019).
  7. T. Weselak. The relation between 5780 and 5797 diffuse interstellar bands, CH/CH+ molecules, and atomic or molecular hydrogen. Astron. Astrophys. 625, 55 (2019).
  8. K. Piechowska, M. Mizerska-Kowalska, B. Zdzisińska, J. Cytarska, A. Baranowska-Łączkowska, K. Jaroch, K. Łuczykowski, W. Płaziński, B. Bojko, S. Kruszewski, K. Misiura, K. Z. Łączkowski. Tropinone-Derived Alkaloids as Potent Anticancer Agents: Synthesis, Tyrosinase Inhibition, Mechanism of Action, DFT Calculation, and Molecular Docking Studies. Int. J. Mol. Sci. 21, 9050 (2020).
  9. A. Baranowska-Łączkowska, A. Banaszak-Piechowska, B. Donarska, K. Z. Łączkowski. Towards understanding the interaction of (S)-thalidomide with nucleobases. Arch. Biochem. Biophys. 693, 108566 (2020).
  10. T. Weselak. On the Relation between OH+, OH and CH+ Molecules, Neutral/Molecular Hydrogen and Major 5780/5797 DIBs. Acta Astron. 70, 301 (2020).
  11. N. Stolarczyk, F. Thibault, H. Cybulski, H. Jóźwiak, G. Kowzan, B. Vispoel, I. E. Gordon, L. S. Rothman, R. R. Gamache, P. Wcislo. Evaluation of different parameterizations of temperature dependences of the line-shape parameters based on ab initio calculations: Case study for the HITRAN database. J. Quant. Spectrosc. Radiat. Transf. 240, 106676 (2020).
  12. G. Kowzan, H. Cybulski, P. Wcisło, M. Słowiński, A. Viel, P. Masłowski, F. Thibault. Subpercent agreement between ab initio and experimental collision-induced line shapes of carbon monoxide perturbed by argon. Phys. Rev. A 102, 012821 (2020).
  13. H. Jóźwiak, H. Cybulski, P. Wcisło. Positions and intensities of hyperfine components of all rovibrational dipole lines in the HD molecule. J. Quant. Spectrosc. Radiat. Transf. 253, 107171 (2020).
  14. H. Jóźwiak, H. Cybulski, P. Wcisło. Hyperfine components of all rovibrational quadrupole transitions in the H2 and D2 molecules. J. Quant. Spectrosc. Radiat. Transf. 253, 107186 (2020).
  15. H. Jóźwiak, H. Cybulski, P. Wcisło. Hyperfine structure of quadrupole rovibrational transitions in tritium-bearing hydrogen isotopologues. J. Quant. Spectrosc. Radiat. Transf. 256, 107255 (2020).
  16. A. Baranowska-Łączkowska, K. Z. Łączkowski, A. Banaszak-Piechowska, B. Fernandez. Systematic Analysis of the Role of Substituents in Oxiranes, Oxetanes, and Oxathietanes Chemical Shifts. J. Phys. Chem. A 125, 2077 (2021).
  17. A. Biernasiuk, A. Banasiewicz, M. Masłyk, A. Martyna, M. Janeczko, A. Baranowska-Łączkowska, A. Malm, K. Z. Łączkowski. Synthesis and Physicochemical Characterization of Novel Dicyclopropyl-Thiazole Compounds as Nontoxic and Promising Antifungals. Materials 14, 3500 (2021).
  18. H. Jóźwiak, H. Cybulski, P. Wcisło. Hyperfine structure of rovibrational quadrupole transitions in HD. J. Quant. Spectrosc. Radiat. Transf. 272, 107753 (2021).
  19. H. Jóźwiak, F. Thibault, H. Cybulski, P. Wcisło. Ab initio investigation of the CO-N2 quantum scattering: The collisional perturbation of the pure rotational R(0) line in CO. J. Chem. Phys. 154, 054314 (2021).
  20. H. Jóźwiak, H. Cybulski, P. Wcisło. Hyperfine components of rovibrational dipole transitions in HT and DT. J. Quant. Spectrosc. Radiat. Transf. 270, 107662 (2021).
  21. H. Jóźwiak, H. Cybulski, A. Grabowski, P. Wcisło. Hyperfine structure of the EF1Σ+g state in H2. Phys. Rev. A 104, 012808 (2021).
  22. K. Madajczyk, P. S. Żuchowski, F. Brzęk, Ł. Rajchel, D. Kędziera, M. Modrzejewski, M. Hapka. Dataset of noncovalent intermolecular interaction energy curves for 24 small high-spin open-shell dimers. J. Chem. Phys. 154, 134106 (2021).
  23. K. Piechowska, A. Baranowska-Łączkowska, K. Z. Łączkowski, J.  Konieczkowska, M. Siwy, M. Vasylieva, P. Gnida, P. Nitschke, E. Schab-Balcerzak. Novel Azocoumarin Derivatives – Synthesis and Characterization. Int. J. Mol. Sci. 23, 5767 (2022).
  24. T. Weselak. On the Relation between OH and CH Radicals, Molecular/Neutral Hydrogen and Major 5780/5797 Diffuse Interstellar Bands. Acta Astron. 72, 233 (2022).