Abstract:
The aim of this work is to provide a detailed analysis of structurals and opticals properties
of somes complexs upon time dependent and indepented density functional theory
calculation.
The first part defines the concepts and methods of quantum chemistry and the
approximations used in the calculations the we have performed to determine the
differents properties of studied complexs.
The second part focuses, on the one hand, ou the description of the ADF code and exposes
ou the other hand, the results obtained in study of electronic structure and opticals
properties of this complexs.
The third part is a description of electrochemical technic used in the developement of ZnO
nanotybs, follwed by a discussion of the obtained results.
