Aqueous Micro-hydration of Na+(H2O)n=1-7 Clusters: DFT Study

Ionic association and thermodynamic parameters for solvation of vanadyl sulfate in ethanol-water mixtures at different temperatures

(2017) Esam A. Gomaa et al.   JOURNAL OF MOLECULAR LIQUIDS

Effect of task specific thiocyanate based ionic liquids on relative volatility of cyclohexane and benzene azeotropic mixture

(2017) Girma Gonfa et al.   JOURNAL OF MOLECULAR LIQUIDS

The investigation of structure and IR spectra for hydrated potassium ion clusters K+(H2O)n=1–16 by density functional theory*

(2016) Fayan Zhu et al.   EUROPEAN PHYSICAL JOURNAL D

Ion association and solvation behavior of copper sulfate in binary aqueous–methanol mixtures at different temperatures

(2016) Esam A. Gomaa et al.   JOURNAL OF MOLECULAR LIQUIDS

Photoelectron Spectroscopy and ab initio Calculations of Li(H2O)n– and Cs(H2O)n– (n = 1–6) Clusters

(2015) Zhen Zeng et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Microsolvation of LiBO2 in water: anion photoelectron spectroscopy and ab initio calculations

(2015) Zhen Zeng et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Hydration structure of Na+and K+fromab initiomolecular dynamics based on modern density functional theory

(2014) Arindam Bankura et al.   MOLECULAR PHYSICS

Structure of aqueous sodium metaborate solutions: X-ray diffraction study

(2012) Zhou Yongquan et al.   Russian Journal of Physical Chemistry A

Classical and QM/MM MD simulations of sodium(I) and potassium(I) ions in aqueous solution

(2010) S. Sikander Azam et al.   JOURNAL OF MOLECULAR LIQUIDS

Effect of Ions on the Structure of Water: Structure Making and Breaking

(2009) Yizhak Marcus   CHEMICAL REVIEWS

Vibrational Spectroscopy as a Probe of Structure and Dynamics in Liquid Water

(2009) H. J. Bakker et al.   CHEMICAL REVIEWS

Infrared Spectrum and Stability of the H2O−HO Complex: Experiment and Theory†

(2009) Pesia Soloveichik et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS