Metal ions play significant roles in numerous fields including chemistry, geochemistry,
biochemistry, and materials science. With computational tools increasingly becoming …

The water exchange reaction between coordination shells around metal ions in aqueous
solution is a fundamental reaction in understanding the reactivity of these ions in chemical …

The role of ionized groups in biological systems is determined by their affinity for water
[Biophys. J. 72 (1997) 65–76]. The tightly bound water associated with biologically important …

The environment plays a key role in the determination of the properties and reactivity of
substances in condensed phases. The complexity of chemical phenomena in solution has …

The stability presented by trivalent metal–organic frameworks (MOFs) makes them an
attractive class of materials. With phosphonate-based ligands, crystallization is a challenge …

The structure of the hydrated gallium (III), indium (III), and chromium (III) ions has been
determined in aqueous perchlorate and nitrate solutions by means of the large-angle X-ray …

The concept of hydrated ion [M (H2O) m] n+ has been used to describe interactions of highly
charged monatomic cations in water. Ab initio interaction potentials for Al3+, Mg2+, and …

Extended X-ray absorption fine structure (EXAFS) spectra of Cr3+ and Rh3+ in aqueous
solution are analyzed and compared with computed spectra derived from structural results …

An overview of recent molecular orbital theory and density functional theory studies on water
exchange reactions of metal ions and complexes in solution is presented. The different …

The close relationship between life-threatening ventricular arrhythmias and contractile
dysfunction in the heart implicates intracellular calcium cycling as an important underlying …