Sugars are crucial components in biosystems and industrial applications. In aqueous
environments, the natural state of short saccharides or charged glycosaminoglycans is …

The inclusion of solvent effects in the calculation of excited states is vital to obtain reliable
absorption spectra and density of states of solvated chromophores. Here we analyze the …

It has long been recognized that visible light harvesting in Peridinin–Chlorophyll–Protein is
driven by the interplay between the bright (S2) and dark (S1) states of peridinin (carotenoid) …

Entender a natureza e seus fenômenos é talvez o maior objetivo das ciências, e por isso
muito se investe no estudo dos fenômenos e materiais ao nosso redor. O avanço científico …

This thesis focuses on microscopic modelling of solvent effects on ions, molecules, and
chemical reactions in solution by combining the reference interaction site model (RISM) for …