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The Journal of Chemical Physics|December 11, 2007
Adiabatic approximation of time-dependent density matrix functional response theoryKatarzyna Pernal, Klaas Giesbertz, Oleg Gritsenko, et al.Journal of Chemical Theory and Computation|September 19, 2017
Intricacies of van der Waals Interactions in Systems with Elongated Bonds Revealed by Electron-Groups Embedding and High-Level Coupled-Cluster ApproachesEwa Pastorczak, Jun Shen, Michał Hapka, et al.The Journal of Chemical Physics|June 22, 2023
Experimental-computational approach to investigate elastic properties of struviteKatarzyna Pernal, Łukasz Kołodziejczyk, Rafael J Jiménez Riobóo, et al.Journal of Chemical Theory and Computation|November 11, 2021
Density Matrix Renormalization Group with Dynamical Correlation via Adiabatic ConnectionPavel Beran, Mikuláš Matoušek, Michał Hapka, et al.The Journal of Chemical Physics|June 9, 2026
Why projection-based WF-in-DFT cannot be exact, even with the exact exchange-correlation functional. Formal and practical sources of errorsEnzo Monino, Daria Drwal, Michał Hapka, et al.The Journal of Physical Chemistry. A|September 25, 2020
Structural and Optical Properties of Struvite. Elucidating Structure of Infrared Spectrum in High Frequency RangeDominik Sidorczuk, Marcin Kozanecki, Bartolomeo Civalleri, et al.The Journal of Physical Chemistry Letters|July 26, 2023
Efficient Calculation of the Dispersion Energy for Multireference Systems with Cholesky Decomposition: Application to Excited-State InteractionsMichał Hapka, Agnieszka Krzemińska, Marcin Modrzejewski, et al.The Journal of Chemical Physics|December 3, 2008
A density matrix functional with occupation number driven treatment of dynamical and nondynamical correlationDaniel R Rohr, Katarzyna Pernal, Oleg V Gritsenko, et al.The Journal of Physical Chemistry. A|February 23, 2021
Extension of an Atom-Atom Dispersion Function to Halogen Bonds and Its Use for Rational Design of Drugs and BiocatalystsWiktoria Jedwabny, Edyta Dyguda-Kazimierowicz, Katarzyna Pernal, et al.Journal of Chemical Theory and Computation|May 19, 2022
Dispersion Interactions in Exciton-Localized States. Theory and Applications to π-π* and n-π* Excited StatesMohammad Reza Jangrouei, Agnieszka Krzemińska, Michał Hapka, et al.Pageof 169