Aqueous batteries have attracted great attention due to their inherent low cost, intrinsic
safety, and environmental friendliness. Because of intrinsic oxygen evolution reactions …

Much interest has been evinced on the properties of weakly bound van der Waals
complexes of π-systems because of their utility in diverse fields (Figure 1). 1-14 Theoretical …

Alkali (Li+, Na+, K+, Rb+, and Cs+) and halide (F−, Cl−, Br−, and I−) ions play an important
role in many biological phenomena, roles that range from stabilization of biomolecular …

An accurate representation of ion solvation in aqueous solution is critical for meaningful
computer simulations of a broad range of physical and biological processes. Polarizable …

The coordination geometry of divalent calcium ions has been investigated by analyses of the
crystal structures of small molecules containing this cation that are found in the Cambridge …

Plastics redesign for circularity has primarily focused on monomer chemistries enabling
faster deconstruction rates concomitant with high monomer yields. Yet, during …

An energy decomposition scheme based on the block-localized wave function (BLW)
method is proposed. The key of this scheme is the definition and the full optimization of the …

A polarizable potential function for the hydration of alkali and halide ions is developed on
the basis of the recent SWM4-DP water model [Lamoureux, G.; MacKerell, AD, Jr.; Roux, BJ …

This chapter emphasizes the fundamental approaches to the study of waterrock interactions
and their ramifications in weathering, global change, environmental concerns anji other …

Non-traditional stable isotopes (eg, Li, Mg, and Si) are increasingly used as tracers for
studying Earth's surface processes. The isotopes of potassium (K), a highly soluble and …