Danuta Rusińska‐Roszak

Author

Also Known As

D Rusinska-Roszak, D. RUSINSKA‐ROSZAK, D. Rusińska-Roszak, D. Rusińska‐Roszak, Danuta Rusinska-Roszak, Danuta Rusinska‐Roszak, Danuta Rusińska-Roszak, Danuta Rusińska‐Roszak

Publications

542

Citations

H-Index

Concepts

All Affiliations

Poznań University of Technology University of Tübingen

About

Danuta Rusińska‐Roszak is an author at Poznań University of Technology specializing in computational chemistry, chemistry, and quantum chemistry.

Top Concepts

#	Concept	H-Index	Publications	Citations
1	Engineering	4	4	319
2	Natural Sciences	4	4	319
3	Biochemistry	3	3	220
4	Biomolecular Engineering	2	2	225
5	Medicine	1	1	11

Danuta Rusińska‐Roszak

Publications

466

Citations

H-Index

Page 1

	Year	Citations
Hydrogen Bonding and Density Functional Calculations: The B3LYP Approach as the Shortest Way to MP2 Results Marek Łożyński, Danuta Rusińska‐Roszak, Hans‐Georg Mack The Journal of Physical Chemistry A EngineeringComputational ChemistryChemistryChemical EngineeringMolecular Simulation	1998	164
Intramolecular O–H···O═C Hydrogen Bond Energy via the Molecular Tailoring Approach to RAHB Structures Danuta Rusińska‐Roszak The Journal of Physical Chemistry A EngineeringIntramolecular Hydrogen BondNatural SciencesChemical BondHydrogen Bond	2015	61
Estimation of the Intramolecular O–H···O═C Hydrogen Bond Energy via the Molecular Tailoring Approach. Part I: Aliphatic Structures Danuta Rusińska‐Roszak, Grzegorz Sowinski Journal of Chemical Information and Modeling EngineeringIntramolecular Hydrogen BondNatural SciencesChemical BondAliphatic Structures	2014	48
MP2 and Density Functional Studies of Hydrogen Bonding in Model Trioses: <scp>d</scp>-(+)-Glyceraldehyde and Dihydroxyacetone Marek Łożyński, Danuta Rusińska‐Roszak, Hans‐Georg Mack The Journal of Physical Chemistry A EngineeringComputational ChemistryChemistryDensity Functional StudiesSpectra-structure Correlation	1997	46
Energy of Intramolecular Hydrogen Bonding in ortho-Hydroxybenzaldehydes, Phenones and Quinones. Transfer of Aromaticity from ipso-Benzene Ring to the Enol System(s) Danuta Rusińska‐Roszak Molecules	2017	43
Calculated conformer energies for organic molecules with multiple polar functionalities are method dependent: Taxol (case study) Ami S. Lakdawala, Minmin Wang, Neysa Nevins, BMC Chemical Biology	2001	28
Quantification of hydrogen bond energy based on equations using spectroscopic, structural, QTAIM-based, and NBO-based descriptors which calibrated by the molecular tailoring approach Danuta Rusińska‐Roszak Journal of Molecular Modeling	2023	19
Estimation of the breakthrough volume of selected steroids for <scp>C</scp>‐18 solid‐phase extraction sorbent using retention data from micro‐thin layer chromatography Katarzyna Bielicka‐Daszkiewicz, Adam Voelkel, Danuta Rusińska‐Roszak, Journal of Separation Science	2013	14
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 Danuta Rusińska‐Roszak Molecules	2023	12
Fragmentation studies of selected drugs utilized in palliative care Tomasz Grześkowiak, Agnieszka Zgoła‐Grześkowiak, Danuta Rusińska‐Roszak, European Journal of Mass Spectrometry Palliative CarePharmacological StudyMedicineMass SpectrometryForensic Toxicology	2018	11

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