Noble gas hydrides: theoretical prediction of the first group of anionic species.

The first group of anionic noble-gas hydrides with the general formula HNgBeO (Ng = Ar, Kr, Xe, Rn) is predicted through MP2, Coupled-Cluster, and Density Functional Theory computations employing correlation-consistent atomic basis sets. We derive that these species are stable with respect to the loss of H, H, BeO, and BeO, but unstable with respect to Ng + HBeO. The energy barriers of the latter process are, however, high enough to suggest the conceivable existence of the heaviest HNgBeO species as metastable in nature.

Complexes of the noble gases with H3O+: a theoretical investigation on Ng(H3O+) (Ng = He-Xe).

The geometries, harmonic vibrational frequencies, and binding energies (Bes) of the Ng(H(3)O(+)) complexes (Ng = He-Xe) were investigated at the coupled cluster level of theory, and their bonding situation was assayed by various methods of bonding analysis. The effects of Ng on H(3)O(+) progressively increase from He to Xe, and only He can be regarded as an essentially "innocent" ligand. The binding energies also increase in the same periodic order, and are by far dominated by the "noncovalent" ion-induced dipole interaction arising from the H(3)O(+)-induced polarization of Ng.

The first quantitative rating system of the antioxidant capacity of beauty creams via the Briggs-Rauscher reaction: a crucial step towards evidence-based cosmetics.

Oxidative damage is the primary cause of skin aging. Skin care products are numerous and overwhelming, yet there is certain similarity among different formulations. Moisturizers are ubiquitous and the presence of particular added ingredients supports specific marketing claims.

Noble gas anions: a theoretical investigation of FNgBN- (Ng = He-Xe).

Noble gas anions of general formula FNgBN- (Ng = He-Xe) have been investigated by MP2, coupled-cluster, and multireference-CI calculations with correlation-consistent basis sets. These species reside in deep wells on the singlet potential energy surface and are thermodynamically stable with respect to the loss of F, F-, BN, and BN-. They are unstable with respect to Ng + FBN-, but at least for Ng = Ar, Kr, and Xe, the involved energy barriers are high enough to suggest their conceivable existence as metastable species.