Zobrazeno 1 - 10
of 70
pro vyhledávání: '"Krzysztof Zborowski"'
Publikováno v:
ARKIVOC, Vol 2015, Iss 7, Pp 216-230 (2015)
Externí odkaz:
https://doaj.org/article/5a796a12f7494edc93287b1ce93d385d
Autor:
Jordi Poater, Krzysztof Zborowski
Publikováno v:
ACS Omega
ACS Omega, Vol 6, Iss 38, Pp 24693-24699 (2021)
ACS Omega, Vol 6, Iss 38, Pp 24693-24699 (2021)
Properties of pyrrole and pyridine molecules upon different hydrations were investigated through density functional theory. Complexes of studied molecules with a cluster of 50 water molecules were considered, and the polarizable continuum model of so
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::257e8f16f6fdf1b19014e1aeed3b9432
http://europepmc.org/articles/PMC8482501
http://europepmc.org/articles/PMC8482501
Autor:
Sylwia Zelek-Pogudz, Urszula Solecka, Krzysztof Zborowski, Elżbieta Szostak, Michał Zając, Katarzyna Chruszcz-Lipska, Marek Solecki
Publikováno v:
Minerals. 12:1561
The paper presents research on chloride minerals of natural origin from Kłodawa (Poland), i.e., colorless, blue and purple halite as well as colorless sylvite. Selected samples of minerals were studied by chemical analysis (ICP-OES, ICP-MS, titratio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ffdc0e36391811d1f8c6429c8b2f941e
https://doi.org/10.3390/min12121561
https://doi.org/10.3390/min12121561
Publikováno v:
Structural Chemistry. 28:1223-1227
Classical and reverse substituent effects were studied for pyrrole derivatives. Two extensive sets of pyrrole derivatives with NO, NO2, CN, CF3, COMe, COOH, CHO, CONH2, Cl, SH, SiH3, F, PH2, H, Me, OMe, OH, NH2, NHMe, NMe2, Li, BeH, BH2, Na, MgH, and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::629373ec31313c009b7ac76ab87c37b1
https://doi.org/10.1007/s11224-017-0938-7
https://doi.org/10.1007/s11224-017-0938-7
Publikováno v:
Journal of Molecular Modeling. 25
The reactivity of the 5-arylidenerhodanine and 5-arylideneisorhodanine derivatives in reactions with dimethyl maleate was computationally studied at the DFT(M06-2X)/6–311+G(d,p) theory level. Eight stereoisomers of the reaction products were consid
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c72fdad7373016e3a5575c8d8e34ca4d
https://doi.org/10.1007/s00894-019-4063-y
https://doi.org/10.1007/s00894-019-4063-y
Publikováno v:
Journal of molecular modeling. 25(9)
We present the synthesis and structure determination for two thiohydantoin compounds (5-benzylidene-2-sulfanylideneimidazolidin-4-one and 5-cinnamylidene-2-sulfanylideneimidazolidin-4-one), proposed as potential novel fungicides. The exact chemical s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6c637b6152526f623462e98e8f3f169f
https://pubmed.ncbi.nlm.nih.gov/31446500
https://pubmed.ncbi.nlm.nih.gov/31446500
Autor:
Krzysztof Zborowski, S. Mohamad Reza Nazifi, Mohammad H Asgharshamsi, Mehrdad Mohammadpour Dehkordi
Prediction of the antioxidant activity of three Aloe vera components (aloesone, aloe-emodin, and isoeleutheol) was performed based on density functional theory calculations using the B3LYP hybrid functional and the 6-311++ G** basis set. Calculation
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5b7632af1a6f5e9dc34320f5119b19f7
https://ruj.uj.edu.pl/xmlui/handle/item/130907
https://ruj.uj.edu.pl/xmlui/handle/item/130907
Autor:
Krzysztof Zborowski, Anna Chachaj-Brekiesz, Joanna Zemła, Patrycja Dynarowicz-Łątka, Katarzyna Makyła-Juzak
Publikováno v:
Molecular Physics. 114:3567-3577
Symmetrical triblock semifluorinated n-alkane, di(perfluorohexyl)hexane of the formula F(CF2)6(CH2)6(CF2)6F (abbreviated F6H6F6), has been synthesised and investigated at the air/water interface. Our results show for the first time that this unusual
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::22591fa4d8bf8fe437163617f4b85f43
https://doi.org/10.1080/00268976.2016.1248513
https://doi.org/10.1080/00268976.2016.1248513
Autor:
Visvaldas Kairys, Krzysztof Zborowski, Sarunas Krisciukaitis, Arvydas Tamulis, Kristina Majauskaite, Kapil Adhikari
Publikováno v:
Chemical Physics Letters. 660:189-198
Implementation of liquid state quantum information processing based on spatially localized electronic spin in the neurotransmitter stable acetylcholine (ACh) neutral molecular radical is discussed. Using DFT quantum calculations we proved that this m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f9fe702ac0ed955ed5ee175f86eae02b
https://doi.org/10.1016/j.cplett.2016.08.017
https://doi.org/10.1016/j.cplett.2016.08.017
Autor:
Leonard M. Proniewicz, Grzegorz Żuchowski, Mehrdad Mohammadpour, S. Heidarpoor, Krzysztof Zborowski
Publikováno v:
Computational and Theoretical Chemistry. 1078:96-103
DFT, MP2, CBS-APNO, G4 and CCSD(T) calculations were performed for anionic and cationic tautomers of 3-hydroxypyridin-4-one molecule, a parent molecular system for the family of hydroxypyridinones that are known in coordination chemistry as efficient
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::614d68a2c3b82e0cdd89b8d9601bc0af
https://doi.org/10.1016/j.comptc.2015.12.023
https://doi.org/10.1016/j.comptc.2015.12.023