Molecc

Molecc has as primary objective to spearhead research in the fields of theoretical chemistry, organic and inorganic physical chemistry, working at boundaries of knowledge in a multidisciplinary set-up and dealing specifically with the development of new lead compounds of therapeutic interest and agrochemicals (QSAR ), molecular modeling of macromolecules, conformational analysis, computational catalysis, development of tools for the computation and prediction of theoretical spectroscopic parameters, with the aim of reconciling theory and practice. This research line also addresses challenges ranging from technological to basic science problems, for example, in the study of thermal and solvation effects on spectroscopic properties. This diversity of issues addressed remits to us a wide variety of theoretical methods. In fact, we have used in-house and commercial computational codes.