Agnieszka Krzemińska-Kowalska

dr inż. Agnieszka Krzemińska-Kowalska

Adiunkt

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

Konsultacje: piątek 8:30-12:00 pokój 3.05