Microsolvation of Histidine—A Theoretical Study of Intermolecular Interactions Based on AIM and SAPT Approaches

by Beata Kizior, Jarosław J. Panek, Aneta Jezierska
Published 2020-07-01

Naphthazarin Derivatives in the Light of Intra- and Intermolecular Forces

by Karol Kułacz, Michał Pocheć, Aneta Jezierska, Jarosław J. Panek
Published 2021-09-01

Competition of Intra- and Intermolecular Forces in Anthraquinone and Its Selected Derivatives

by Kamil Raczyński, Andrzej Pihut, Jarosław J. Panek, Aneta Jezierska
Published 2021-06-01

Intramolecular Hydrogen Bonds in Selected Aromatic Compounds: Recent Developments

by Aneta Jezierska, Peter M. Tolstoy, Jarosław J. Panek, Aleksander Filarowski
Published 2019-10-01

Structure-Property Relationship in Selected Naphtho- and Anthra-Quinone Derivatives on the Basis of Density Functional Theory and Car–Parrinello Molecular Dynamics

by Beata Kizior, Jarosław J. Panek, Bartłomiej M. Szyja, Aneta Jezierska
Published 2021-03-01

Non-Covalent Forces in Naphthazarin—Cooperativity or Competition in the Light of Theoretical Approaches

by Aneta Jezierska, Kacper Błaziak, Sebastian Klahm, Arne Lüchow, Jarosław J. Panek
Published 2021-07-01

Sensitivity of Intra- and Intermolecular Interactions of Benzo[h]quinoline from Car–Parrinello Molecular Dynamics and Electronic Structure Inspection

by Jarosław J. Panek, Joanna Zasada, Bartłomiej M. Szyja, Beata Kizior, Aneta Jezierska
Published 2021-05-01

Possible interactions between fused pyrazole derivative and magnesium ions - NMR experiments and theoretical calculations

by Kornelia Czaja, Jacek Kujawski, Urlich Girreser, Jarosław J. Panek, Marek Doskocz, Marek K. Bernard
Published 2016-05-01

Fluconazole and Lipopeptide Surfactin Interplay During <i>Candida albicans</i> Plasma Membrane and Cell Wall Remodeling Increases Fungal Immune System Exposure

by Jakub Suchodolski, Daria Derkacz, Jakub Muraszko, Jarosław J. Panek, Aneta Jezierska, Marcin Łukaszewicz, Anna Krasowska
Published 2020-04-01

Inter- vs. Intramolecular Hydrogen Bond Patterns and Proton Dynamics in Nitrophthalic Acid Associates

by Kinga Jóźwiak, Aneta Jezierska, Jarosław J. Panek, Eugene A. Goremychkin, Peter M. Tolstoy, Ilya G. Shenderovich, Aleksander Filarowski
Published 2020-10-01

Symmetry/Asymmetry of the NHN Hydrogen Bond in Protonated 1,8-Bis(dimethylamino)naphthalene

by Patrycja Piękoś, Aneta Jezierska, Jarosław J. Panek, Eugene A. Goremychkin, Alexander F. Pozharskii, Alexander S. Antonov, Peter M. Tolstoy, Aleksander Filarowski
Published 2020-11-01