Feedback Effect on Landau-Zener-Stueckelberg Transitions in Magnetic Systems [PDF]
We examine the effect of the dynamics of the internal magnetic field on the staircase magnetization curves observed in large-spin molecular magnets. We show that the size of the magnetization steps depends sensitively on the intermolecular interactions ...
Anthony Hams +28 more
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A Feasible and Efficient Monitoring Method of Synthetic Fibers Released during Textile Washing
Microfibers (MFs) are one of the most common and hazardous forms of microplastic found in the aquatic environment. The methods of collecting and analyzing MFs released during washing have to be developed and standardized to understand and model the ...
Oskar Świątek, Agnieszka Dąbrowska
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Vibrational spectroscopic force field studies of dimethyl sulfoxide and hexakis(dimethyl sulfoxide)scandium(III) iodide, and crystal and solution structure of the hexakis(dimethyl sulfoxide)scandium(III) ion [PDF]
Hexakis(dimethyl sulfoxide) scandium(III) iodide, [Sc(OS(CH3)(2))(6)]I-3 contains centrosymmetric hexasolvated scandium(III) ions with an Sc-O bond distance of 2.069(3) Angstrom.
Abbasi, A. +3 more
core +1 more source
The ubiquitous presence of microplastic particles encompasses the human tissues and secreta. Unfortunately, the complex biological matrix hampers the proper polymer identification, and harsh purification protocols damage the microplastic particles (MPs),
Agnieszka Dąbrowska +3 more
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Transferable atomic multipole machine learning models for small organic molecules [PDF]
Accurate representation of the molecular electrostatic potential, which is often expanded in distributed multipole moments, is crucial for an efficient evaluation of intermolecular interactions.
Andrienko, Denis +2 more
core +4 more sources
Lost or abandoned fishing gears threaten the natural environment and its inhabitants through an entanglement of animals, by-catch, and potential release of microplastics.
Agnieszka Dąbrowska +4 more
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Competitive cocrystallization and its application in the separation of flavonoids
Recently, cocrystallization has been widely employed to tailor physicochemical properties of drugs in the pharmaceutical field. In this study, cocrystallization was applied to separate natural compounds with similar structures.
Yanming Xia +5 more
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A retarded coupling approach to intermolecular interactions [PDF]
A wide range of physical phenomena such as optical binding and resonance energy transfer involve electronic coupling between adjacent molecules.
Andrews D L +19 more
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Quantitative analysis of intermolecular interactions in orthorhombic rubrene
Rubrene is one of the most studied organic semiconductors to date due to its high charge carrier mobility which makes it a potentially applicable compound in modern electronic devices.
Venkatesha R. Hathwar +8 more
doaj +1 more source
Intermolecular Interactions in Molecular Organic Crystals upon Relaxation of Lattice Parameters [PDF]
Crystal structure prediction is based on the assumption that the most thermodynamically stable structure will crystallize first. The existence of other structures such as polymorphs or from counterenantiomers requires an accurate calculation of the ...
Heimsaat, M., Stein, M.
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