Ewa Pastorczak

Papers

• A. Jarota, D. Drwal, J. Pięta, E. Pastorczak, Wide-range IR spectra of diarylethene derivatives and their simulation using the density functional theory, Sci. Rep. 12(1), 16834, 2022

   10.1038/s41598-022-20264-x 
• 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 
• 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 
• D. Drwal, E. Pastorczak, K. Pernal, Excited states in the adiabatic connection fluctuation-dissipation theory: Recovering missing correlation energy from the negative part of the density response spectrum, J. Chem. Phys. 154(16), 164102, 2021

   10.1063/5.0046852 
• A. Jarota, E. Pastorczak, H. Abramczyk, A deeper look into the photocycloreversion of a yellow diarylethene photoswitch: why is it so fast?, Phys. Chem. Chem. Phys. 22(10), 5408-5412, 2020

   10.1039/C9CP05452A