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In Silico Design of Cylindrophanes: The Role of Functional Groups in a Fluoride Selective Host
(Wiley-VCH Verlag, 2020)
O/W emulsions stabilized by interactions between proteins and polysaccharides
(2018-01-01)
Amphiphilic structures can be produced from interactions between proteins and polysaccharides, resulting in supramolecular microstructures very suitable to replace synthetic emulsifiers. These association colloids may be ...
A theoretical study of the strong interactions between carbón dioxide and OH+ and NH2+ products resulting from protonation of 1,2-dioxirane-3-one and 1,2-oxaziridine-3-one, respectively
(Springer, 2016)
In this work, we investigate the nature of the O–
O and O–N interactions in protonated 1,2-dioxirane-3-one
derivatives and protonated 1,2-oxaziridine-3-one derivatives,
respectively. The quantum theory of atoms in
molecules ...
Covalence and π-electron delocalization influence on hydrogen bonds in proton transfer process of o-hydroxy aryl Schiff bases: A combined NMR and QTAIM analysis
(American Institute of Physics, 2021-08)
Within the framework of the density functional theory approach, we studied the relationship between the chemical nature of intramolecular hydrogen bonds (HBs) and nuclear magnetic resonance (NMR) parameters, J-couplings ...