Analysis of Fe2+ and Mn2+ ions in DES and water: A theoretical study using molecular dynamic simulations, QTAIM and NCI-RDG

Laudenor Amorim, Renato Veríssimo de Oliveira, Lucas Lima Bezerra, Lucas Pinheiro Coutinho, Pierre Basílio Almeida Fechine, Adriana N. Correia, Ámison Rick Lopes da Silva, Pedro de Lima‐Neto, Norberto Kássio de Vieira Monteiro

2023Colloids and Surfaces A Physicochemical and Engineering Aspects18 citationsDOI

Topics & Concepts

Ethylene glycolCholine chlorideMolecular dynamicsMoleculeDeep eutectic solventIonSolventAtoms in moleculesMetal ions in aqueous solutionChlorideChemistrySolubilityEutectic systemDensity functional theoryMaterials scienceComputational chemistryPhysical chemistryCrystallographyOrganic chemistryMicrostructureIonic liquids properties and applicationsElectrochemical Analysis and ApplicationsChemical and Physical Properties in Aqueous Solutions