In this work we present a summary of our obtained results in this last decades concerning analysis of the charge density distribution in a variety of organic industrial compounds used in different areas such as telecommunications, solar energy or biology. It is known that some physical properties such us the non-linear optical response and the biological activity of the studied compounds are directly linked to their electronic molecular structure. The knowledge of the electron density function derived from x-ray high diffraction studies combined to theoretical ab-initio calculation can lead...

In recent years, the magnetic and the optoelectronic materials have attracted a great deal interest due to their potential use in industries. Their structural, electronic and optical properties have been widely studied in both theoretical and experimental works. We present here a symmary of our last works on the electronic and magnetic properties of a variety of inorganic compounds. Much of the interest of the presented materials is due to their potential application in "spintronics" devices. In general, the electronic and magnetic properties were studied using first principles calculations...