Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Paul Zaby"'
Autor:
Leonard Dick, Patrick R. Batista, Paul Zaby, Gabriele Manhart, Verena Kopatz, Lukas Kogler, Verena Pichler, Florian Grebien, Vince Bakos, Benedek G. Plósz, Nikola Zlatkov Kolev, Lukas Kenner, Barbara Kirchner, Oldamur Hollóczki
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-17 (2024)
Abstract Micro- and nanoplastics can interact with various biologically active compounds forming aggregates of which the effects have yet to be understood. To this end, it is vital to characterize these aggregates of key compounds and micro- and nano
Externí odkaz:
https://doaj.org/article/5ed80949df9b448bb7086154eeed61ad
Publikováno v:
Chemistry – A European Journal. 29
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fb897f28a0a960846b1d2d3b57f9bf06
https://doi.org/10.1002/chem.202300502
https://doi.org/10.1002/chem.202300502
Publikováno v:
The Journal of Organic Chemistry. 87:1867-1873
By simulating butan-2-ol dissolved in the chiral ionic liquid 1-ethyl-3-methylimidazolium (S)-alaninate, we investigate the chiral recognition of butan-2-ol in the ionic liquid. The hydrogen bonding between the chiral anion and both enantiomers of bu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::eb26f04d480f0871ad6f054bddb73259
https://doi.org/10.1021/acs.joc.1c00939
https://doi.org/10.1021/acs.joc.1c00939
The following article has been submitted to The Journal of Chemical Physics. After it is published, it will be found at https://aip.scitation.org/journal/jcp . In this work, we investigate how uncertainties in experimental input data influence the re
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f3fe5113c9fc9c762cda565bba41b57e
https://doi.org/10.26434/chemrxiv-2022-xwn74
https://doi.org/10.26434/chemrxiv-2022-xwn74
Publikováno v:
The Journal of Chemical Physics. 157:014505
In this work, we investigate how uncertainties in experimental input data influence the results of quantum cluster equilibrium calculations. In particular, we focus on the calculation of vaporization enthalpies and entropies of seven organic liquids,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a5aaa2bc0795148da360ad06f10ed3da
https://doi.org/10.1063/5.0093057
https://doi.org/10.1063/5.0093057
Publikováno v:
The Journal of Chemical Physics. 155:104101
In this work, we present an altered partition function that leads to an improved calculation of the enthalpy and entropy of vaporization in the framework of quantum cluster equilibrium theory. The changes are based on a previously suggested modificat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0bf4728708c81245536a22ca1347315f
https://doi.org/10.1063/5.0061187
https://doi.org/10.1063/5.0061187