Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Mihael Eraković"'
Autor:
Anja Sadžak, Zlatko Brkljača, Mihael Eraković, Manfred Kriechbaum, Nadica Maltar-Strmečki, Jan Přibyl, Suzana Šegota
Publikováno v:
Journal of Lipid Research, Vol 64, Iss 10, Pp 100430- (2023)
Products of lipid peroxidation induce detrimental structural changes in cell membranes, such as the formation of water pores, which occur in the presence of lipids with partially oxidized chains. However, the influence of another class of products, d
Externí odkaz:
https://doaj.org/article/92f298c1d2a746fe81980b244965c317
Publikováno v:
Proceedings of the 2022 International Symposium on Molecular Spectroscopy.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::47a7bdc79fd8ed6b1b33ad44d5f6eda1
https://doi.org/10.15278/isms.2022.tf11
https://doi.org/10.15278/isms.2022.tf11
To investigate influences on the topicity of perfluorinated halobenzenes as halogen bond (XB) donors in the solid state, we have conducted a database survey and prepared 18 novel cocrystals of potentially ditopic (13ditfb, 14ditfb) and tritopic (135t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::635c21b0627db8d40b8a9c935a730c32
https://doi.org/10.1021/acs.cgd.2c00077
https://doi.org/10.1021/acs.cgd.2c00077
Autor:
Marko T. Cvitaš, Mihael Eraković
We apply our recently developed semiclassical method for calculating tunnelling splittings (TS) in asymmetric systems to make the first characterization of the ground-state TS pattern of some partially deuterated water trimers. Similarly to homoisoto
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::091cfcf5ab958167a93d59c1e5097d6f
https://www.bib.irb.hr/1112781
https://www.bib.irb.hr/1112781
Publikováno v:
Journal of Chemical Physics
We derive a multidimensional instanton theory for calculating ground-state tunneling splittings in Cartesian coordinates for general paths. It is an extension of the method by Mil'nikov and Nakamura [J. Chem. Phys. 115, 6881 (2001)] to include asymme
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8b3e3cd32657783ed69d0f3b45446cc8
https://pubmed.ncbi.nlm.nih.gov/32113369
https://pubmed.ncbi.nlm.nih.gov/32113369
Autor:
Vladimir Stilinović, Mihael Eraković, Tomislav Lež, Ivan Porupski, Dominik Cinčić, Vinko Nemec
Publikováno v:
Crystal Growth & Design. 18:1182-1190
A series of 10 cocrystals derived from N-bromophthalimide and nitrogen bases (pKa from 3.2 to 8.8) have been prepared by both crystallization from solution and mechanochemically (liquid-assisted grinding). All 10 structures exhibit molecular complexe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::33235ac1288d2dd7c4d6179dbc2a421b
https://doi.org/10.1021/acs.cgd.7b01651
https://doi.org/10.1021/acs.cgd.7b01651
Publikováno v:
Angewandte Chemie International edition
The covalent nature of strong N−Br⋅⋅⋅N halogen bonds in a cocrystal (2) of N‐bromosuccinimide (NBS) with 3, 5‐dimethylpyridine (lut) was determined from X‐ray charge density studies and compared to a weak N−Br⋅⋅⋅O halogen bond i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8bbbfbfc3d547adc7b9e4d9448cd706b
https://pubmed.ncbi.nlm.nih.gov/31441965
https://pubmed.ncbi.nlm.nih.gov/31441965
Autor:
Mihael Eraković, Marko T. Cvitaš
Publikováno v:
Journal of Chemical Physics
A multidimensional semiclassical method for calculating tunneling splittings in vibrationally excited states of molecules using Cartesian coordinates is developed. It is an extension of the theory by Mil'nikov and Nakamura [$\textit{ J. Chem. Phys.}$
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::01c6c7905b74c288175a024cffda1dfc
https://doi.org/10.1063/5.0024210
https://doi.org/10.1063/5.0024210