The accurate determination of the solvation free energies or solvation enthalpies of ferrous ion in a given medium is subject to the determination of the most favored structures of the …
In the present work, we have studied the effects of the implicit solvent on the structural and energetic parameters of Cu 2+(MeOH) n= 1-8 clusters. Initially, we explored the potential …
TE Da-yang, JJ Fifen, J Conradie… - Journal of Molecular …, 2022 - Elsevier
Copper plays an important role in many physiological biochemical and biological processes. This work sets out to investigate structures, relative stabilities, temperature-dependence of …
PR Smirnov - Russian Journal of General Chemistry, 2013 - Springer
Literature data on structure of coordination sphere of selected monoatomic cations in aqueous and methanol solutions have been reviewed and compared. The following …
M Giesecke, F Hallberg, Y Fang… - The Journal of Physical …, 2016 - ACS Publications
Complex formation in methanol between monodisperse polyethylene oxide (PEO) and a large set of cations was studied by measuring the effective charge acquired by PEO upon …
Hydration of thiourea (TU), hydroxyurea (HU, hydroxycarbamide), acetone (AC, 2- propanone) and dimethyl sulfoxide (DMSO) has been investigated with the help of the …
In the present work, we investigated the potential energy surfaces (PESs) of the structures of the Cu 2+ ion in methanol clusters in two different media: gas and solvent phases. The …
K Klimaszewski, E Stronka-Lewkowska… - Journal of Molecular …, 2016 - Elsevier
Densities (ρ) and sound velocity (u) were measured in the binary liquid mixture of water and diethylene glycol-water (DEG) over the entire mixture composition range. Density values …
O Boukar, JJ Fifen, J Conradie… - Journal of Molecular …, 2024 - Springer
Context The solvation of metal ions is crucial to understanding relevant properties in physics, chemistry, or biology. Therefore, we present solvation enthalpies and solvation free …