Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Małgorzata Igielska"'
Publikováno v:
International Journal of Food Science & Technology. 56:1013-1020
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::be5ec3a985e2df40e2bb0dbc88ebe46f
https://doi.org/10.1111/ijfs.14753
https://doi.org/10.1111/ijfs.14753
Autor:
Ewa D. Raczyńska, Julian Kurpiewski, Beata Kamińska, Pierre-Charles Maria, Małgorzata Igielska, Jean-François Gal, Weronika Juras
Publikováno v:
Journal of Molecular Modeling
Quantum chemical calculations were carried out for deprotonated (P−) and protonated purine (PH+) and for adducts with one alkali metal cation (P−M+ and PM+, where M+ is Li+ or Na+) in the gas phase {B3LYP/6-311+G(d,p)}, a model of perfectly apola
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c1b45e551408729c76c6e001abed08fd
https://doi.org/10.1007/s00894-020-4343-6
https://doi.org/10.1007/s00894-020-4343-6
Publikováno v:
Computational and Theoretical Chemistry. 1180:112811
Effects of positive and negative ionization, deprotonation and protonation, cationization with the simplest metal cation (Li+), and hydrogen-bond formation with the simplest acid (HF) on bond lengths alternation have been studied for the psychoactive
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::04f553c3217bd85ae0d55f6d2de6a918
https://doi.org/10.1016/j.comptc.2020.112811
https://doi.org/10.1016/j.comptc.2020.112811