Patrizio Cecchi

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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(More)
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. The antioxidant effects of botanical polyphenols possess tremendous marketing(More)
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(More)
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