Danuta Rusińska‐Roszak
Poznań University of Technology(PL)
Publications by Year
Research Areas
Crystallography and molecular interactions, Synthetic Organic Chemistry Methods, Free Radicals and Antioxidants, Analytical Chemistry and Chromatography, Cancer Treatment and Pharmacology
Most-Cited Works
- → Hydrogen Bonding and Density Functional Calculations: The B3LYP Approach as the Shortest Way to MP2 Results(1998)164 cited
- → Intramolecular O–H···O═C Hydrogen Bond Energy via the Molecular Tailoring Approach to RAHB Structures(2015)61 cited
- → Estimation of the Intramolecular O–H···O═C Hydrogen Bond Energy via the Molecular Tailoring Approach. Part I: Aliphatic Structures(2014)49 cited
- → MP2 and Density Functional Studies of Hydrogen Bonding in Model Trioses: d-(+)-Glyceraldehyde and Dihydroxyacetone(1997)46 cited
- → Energy of Intramolecular Hydrogen Bonding in ortho-Hydroxybenzaldehydes, Phenones and Quinones. Transfer of Aromaticity from ipso-Benzene Ring to the Enol System(s)(2017)43 cited
- → Calculated conformer energies for organic molecules with multiple polar functionalities are method dependent: Taxol (case study)(2001)28 cited
- → Quantification of hydrogen bond energy based on equations using spectroscopic, structural, QTAIM-based, and NBO-based descriptors which calibrated by the molecular tailoring approach(2023)20 cited
- → Estimation of the breakthrough volume of selected steroids for C‐18 solid‐phase extraction sorbent using retention data from micro‐thin layer chromatography(2013)14 cited
- → Fragmentation studies of selected drugs utilized in palliative care(2018)12 cited
- → Revealing the Reasons for Degeneration of Resonance-Assisted Hydrogen Bond on the Aromatic Platform: Calculations of Ortho-, Meta-, Para-Disubstituted Benzenes, and (Z)-(E)-Olefins(2023)12 cited