Conspectus Polyoxometalates (POMs, metals= V4/5+, Nb5+, Ta5+, Mo5/6+, and W5/6+) can
be described as molecular metal oxides. The V, Mo, and W-POMs (classic POMs) exhibit …

Speciation is the key parameter in solution chemistry that describes the composition,
concentration, and oxidation state of each chemical form of an element present in a sample …

Understanding the dynamics of reactive mixtures still challenges both experiments and
theory. A relevant example can be found in the chemistry of molecular metal-oxide …

High oxidation state metal cations in the form of oxides, oxoanions, or oxoperoxoanions
have diverse roles in carbon dioxide removal (direct air capture and point source). Features …

The dimethylxanthine alkaloid of theobromine (TB) naturally occurs in plants and their
products. Derivatives of methylxanthine can potentially induce detrimental impacts on …

Herein, we present a new computational methodology that unlocks the prediction of the
complex multi-species multi-equilibria processes involved in the formation of complex metal …

Elucidating the speciation (in terms of concentration versus pH) and understanding the
formation mechanisms of polyoxometalates remains a significant challenge, both in …

High oxidation state metal cations have diverse roles in carbon dioxide removal (direct air
capture and at-the-source) includ-ing providing basic oxygens for chemisorption reactions …