Efficient energy storage at low temperatures starves for competent battery techniques.
Herein, inherent advantages of zinc–air batteries on low‐temperature electrochemical …

In this paper we assess the accuracy of the B3LYP, X3LYP, and newly developed M06-L,
M06-2X, and M06 functionals to predict the binding energies of neutral and charged water …

It is known that trace amounts of cations have a detrimental effect on the liquid-phase
conductivity of perfluorosulfonated membranes at room temperature. However, the …

The spectral properties of protonated water clusters, especially the difference between
Eigen (H3O+) and Zundel (H5O2+) conformers and the difference between their unhydrated …

A delicate balance between competing and cooperating noncovalent interactions
determines the three-dimensional structure of hydrated alkali-metal ion clusters. With a …

To determine the structure of aqueous sodium hydroxide solutions, results obtained from x-
ray diffraction and computer simulation (molecular dynamics and Car-Parrinello) have been …

Hydration of mono-and divalent metal ions (Li+, Na+, K+, Be2+, Mg2+ and Ca2+) has been
studied using the DFT (B3LYP), second-order Møller− Plesset (MP2) and CCSD (T) …

Pickering emulsions exhibit outstanding stability, especially those prepared with Janus
particles, whose desorption energy is expected to be up to 3-fold greater than emulsions of …

Using basis‐set extrapolation schemes for a given data set, we evaluated the binding
energies and geometries at the complete basis set (CBS) limit at the levels of the second …

Accurate binding energies of molecules to water clusters are relevant for understanding
intermolecular interactions and various chemical applications. They enter models of …