Development of anionic basis sets for H, Li, B-F, Na and Al-Cl atoms with the Polynomial...

Generation of basis sets for some atoms of the 5th and 6th periods of the periodic...

A new approach for electron affinity calculation

Theoretical research on the possibility of silicon (IV) porphyrinatos catalyze O2...

Molecular modelling for a series of integrase HIV-I inhibitors

The study of a formalism to discretize efficiently the integral equations of the...

Theoretical studies of cannabinoid compounds and their interactions with CB1 and...

Quantitative Structure-Activity Relationship studies of Sigma-1 receptor antagon...

Application of the polynomial hartree-fock generator coordinate method in atomic...

Electrical conduction mechanism at the interface of α-Ag2WO4 e do α-Ag2-xWO4...