Laboratoire de Microscopie;
Microanalyse et Spectroscopie Mol&ulaire;
Faculty of Sciences;
Djillali Liabes University of Sidi-Bel-Abbes;
22000 Sidi-BeI-Abbes;
Algeria;
First; hyperpolarizability; DFT; TD-DFT; Push-pull; molecules; NBOCharge; transfer;