Wyczyść filtry
  • M. Hapka, A. Krzemińska-Kowalska, M. Modrzejewski, M. Przybytek, K. Pernal, Efficient Calculation of the Dispersion Energy for Multireference Systems with Cholesky Decomposition: Application to Excited-State Interactions, J. Phys. Chem. Lett., 6895-6903, 2023
     10.1021/acs.jpclett.3c01568 
  • A. Krzemińska-Kowalska, J.-E. Sánchez-Aparicio, J.-D. Maréchal, A. Paneth, P. Paneth, Influence of Association on Binding of Disaccharides to YKL-39 and hHyal-1 Enzymes, Int. J. Mol. Sci. 23(14), 7705, 2022
     10.3390/ijms23147705 
  • M. R. Jangrouei, A. Krzemińska-Kowalska, M. Hapka, E. Pastorczak, K. Pernal, Dispersion Interactions in Exciton-Localized States. Theory and Applications to π–π* and n−π* Excited States, J. Chem. Theory Comput. 18(6), 3497-3511, 2022
     10.1021/acs.jctc.2c00221 
  • A. Krzemińska-Kowalska, N. Kwiatos, F. A. Soares, A. Steinbüchel, Theoretical Studies of Cyanophycin Dipeptides as Inhibitors of Tyrosinases, Int. J. Mol. Sci. 23(6), 3335, 2022
     10.3390/ijms23063335 
  • P. Kowalski, A. Krzemińska-Kowalska, K. Pernal, E. Pastorczak, Dispersion Interactions between Molecules in and out of Equilibrium Geometry: Visualization and Analysis, J. Phys. Chem. A 126(7), 1312-1319, 2022
     10.1021/acs.jpca.2c00004 
  • M. Hapka, E. Pastorczak, A. Krzemińska-Kowalska, K. Pernal, Long-range-corrected multiconfiguration density functional with the on-top pair density, J. Chem. Phys. 152(9), 094102, 2020
     10.1063/1.5138980