Tahar Abbaz

Structural Studies, NBO Analysis and Reactivity Descriptors of π-Extended Tetrathiafulvalene (exTTF) Connected to Thiophene Derivative

Tahar Abbaz, Amel Bendjeddou & Didier Villemin · Archives of Current Research International · 2018

We report here a quantum chemical study of π-extended tetrathiafulvalene (exTTF) connected to thiophene derivative 1-4 performed at DFT/B3LYP with 6-31G (d,p) basis set using Gaussian 09w program package. The optimized parameters (bond lengths, bond angles and dihedral angles) ar...

Open access Research Article 10.9734/ACRI/2018/41529

Quantum Investigation of Structure Electronic and Non-Linear Optical Properties of TTF Separated by Thiophene

Tahar Abbaz, Amel Bendjeddou & Didier Villemin · Asian Journal of Chemical Sciences · 2018

We investigate in this study, the quantum chemical computations of a series of tetrathiafulvalene (TTF) separated by thiophene 1-4 using the DFT/B3LYP method with 6-31G (d,p) basis set. The optimized structures and geometrical parameters were determined by the same method cited a...

Open access Research Article 10.9734/AJOCS/2018/41530