The theoretical studies of interactions of the OH−(H2O)n clusters evolution toward the hydroxide anion hydration
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- Type
- article
- Published
- 2012-09-15
- Cited by
- 3
- References
- 36
- OpenAlex
- https://openalex.org/W1989298739
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:95271941
Keywords
Hydroxide, Chemistry, Ion, Aqueous solution, Context (archaeology)
References
- Comment on "Accurate experimental values for the free energies of hydration of H+, OH-, and H3O+".
- Spectroscopic Determination of the OH− Solvation Shell in the OH−·(H2O)n Clusters
- Hydration and mobility of HO-(aq).
- Hydration shell structure of the OH−(H2O)n=1–15 clusters from a model potential energy function
- Electron scattering on OH-(H2O)n clusters (n = 0-4).
- Theoretical study of the OH−(H2O)2 system: Nature and importance of three-body interactions
- Nature of binding in the alkaline–earth clusters: Be3, Mg3, and Ca3
- Dissociative photodetachment studies of O−(H2O)2, OH−(H2O)2, and the deuterated isotopomers: Energetics and three-body dissociation dynamics
- AN EFFICIENT PROCEDURE FOR DECOMPOSITION OF THE SCF INTERACTION ENERGY INTO COMPONENTS WITH REDUCED BASIS SET DEPENDENCE
- Calculation of the absolute hydration enthalpy and free energy of H+ and OH−
- Ions in water: the microscopic structure of concentrated hydroxide solutions.
- Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions
- Production and magic numbers of large hydrated anion clusters X-(H2O)N=0-59 (X = hydroxyl, oxygen atom or molecule, and ozone) under thermal conditions
- The nature of interactions in the ionic crystal of 3-pentenenitrile, 2-nitro-5-oxo, ion(-1), sodium.
- The Proton's Absolute Aqueous Enthalpy and Gibbs Free Energy of Solvation from Cluster-Ion Solvation Data
- Molecular Dynamics Simulation of OH- in Water
- Structures, energetics, and spectra of hydrated hydroxide anion clusters.
- Structure of the First Solvation Shell of the Hydroxide Anion. A Model Study Using OH-(H2O)n (n = 4, 5, 6, 7, 11, 17) Clusters
- First-Principles Determination of the Absolute Hydration Free Energy of the Hydroxide Ion†
- General atomic and molecular electronic structure system
Cited by
- Structure, energy, vibrational spectrum, and Bader's analysis of π···H hydrogen bonds and H(-δ)···H(+δ) dihydrogen bonds.
- Structure and solvation dynamics of the hydroxide ion in ice-like water clusters: a CCSD(T) and car-parrinello molecular dynamics study.
- The effect and mechanism of different pore structure distribution on electrosorption selectivity of anions during capacitive deionization
- Degradation of quinone-based flow battery electrolytes: Effect of functional groups on the reaction mechanism
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