have a research project on the degradation of different azo dyes This study will be carried out experimentally and theoretically the difficulties that meet for the theoretical part (gaussian calculation 09 by the DFT method) and which gives a recent explanation and prefond to my experiences are The following
1- What we can study and do as theoretical or gaussian computation to explain the phenomenon of degradation and demineralisation of different dyes.
2- that the study of the rectivity by new discriptors to determine the active sites of attack with the spictroscopic study is sifussante to explain the degradation
3- What are the news works in this field to give really good expilcations? theoretical study