Our main goal is to describe photochemical and photophysical properties of modified nucleobases of biological and technological relevance, with emphasis on highly fluorescent nucleobases and pairs of nucleobases mediated by transition metals. We will employ multiconfigurational ab initio quantum methods, but due to the size and complexity of the systems, we will also investigate other quantum methods which are less demanding computationally, without compromising the quality of the results. For comparison, we will use the results obtained with the multiconfigurational methods. (AU)
Articles published in Agência FAPESP Newsletter about the research grant:
ANDREAZZA, CARMEN MARIA;
DE ALMEIDA, AMAURY AUGUSTO;
COSTA, GUSTAVO JULIANI;
BORIN, ANTONIO CARLOS.
Radiative association of P and Cl atoms.
THEORETICAL CHEMISTRY ACCOUNTS,
MAY 30 2020.
Web of Science Citations: 0.