10 citations · 10 across the 3 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2022
Acidity of graphene oxide aqueous solutions: the role of hydroxyls unveiled
Yulia V. Novakovskaya
Nonempirical modeling of hydrated single-layer graphene oxide (GO) fragments revealed that at least one, but substantial origin of the acidity of aqueous GO solutions is the dissoc…
physics.atm-clus2021
3-Aminopropanol: polymolecular structures that determine unique solvation motifs
Yulia V. Novakovskaya
Intermolecular bonding of 3-aminopropanol (3-AP) molecules is discussed in comparison to 2-aminopropanol (2-AP) and 2-aminoethamol (2-AE). The consideration is based on the results…
physics.chem-ph2021★ 10 cited
Flexibility and regularity of the hydration structure of a sodium ion. Nonempirical insight
Yulia V. Novakovskaya
The stationary nonempirical simulations of Na+(H2O)n clusters with n in a range of 28 to 51 carried out at the density functional level with a hybrid B3LYP functional and the Born-…