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Št. zadetkov: 2
Inequivalent solvation effects on the N 1s levels of self-associated melamine molecules in aqueous solution
Aurora Ponzi, Gregor Kladnik
Izvirni znanstveni članek
Oznake: fizikalna kemija;molekulske interakcije;melamin;physical chemistry;molecular interactions;melamine;
This work shows how the N 1s photoemission (PE) spectrum of self-associated melamine molecules in aqueous solution has been successfully rationalized using an integrated computational approach encompassing classical metadynamics simulations and quantum calculations based on density functional theory ...
Leto: 2023 Vir: Fakulteta za matematiko in fiziko (UL FMF)
Carbon and nitrogen K-edge NEXAFS spectra of indole, 2,3-dihydro-7-azaindole, and 3-formylindole
Aurora Ponzi, Elisa Bernes, Daniele Toffoli, Giovanna Fronzoni, Carlo Callegari, A. Ciavardini, Michele Di Fraia, Robert Richter, Kevin C. Prince, Hanan Sa’adeh
Izvirni znanstveni članek
Oznake: carbon;nitrogen;general description;hybrid functional;X-ray absorption near edge spectroscopy;time dependant density functional theory;
Carbon and Nitrogen K-Edge NEXAFS Spectra of Indole, 2,3-Dihydro-7-azaindole, and 3-Formylindole
Leto: 2021 Vir: Repozitorij Univerze v Novi Gorici (RUNG)
Št. zadetkov: 2
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