DFT/TD-DFT computational study of the tetrathiafulvalene-1,3-benzothiazole molecule to highlight its structural, electronic, vibrational and non-linear optical properties

Author:

Midoune Assia,Messaoudi Abdelatif

Publisher

Cellule MathDoc/CEDRAM

Reference68 articles.

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2. [2] Midoune, A.; Messaoudi, A.; Boumedjane, Y. DFT study of a series of tetrathiafulvalene species and their redox isomer, Inorg. Chem. Commun., Volume 100 (2019), pp. 118-124

3. [3] Bryce, M. R. Functionalised tetrathiafulvalenes: new applications as versatile π-electronsystems in materials chemistry, J. Mater. Chem., Volume 10 (2000), pp. 589-598

4. [4] Laukhina, E.; Vidal-Gancedo, J.; Laukhin, V.; Veciana, J.; Chuev, I.; Tkacheva, V.; Wurst, K.; Rovira, C. Multistability in a BEDT-TTF based molecular conductor, J. Am. Chem. Soc., Volume 125 (2003), pp. 3948-3953

5. [5] Martin, L. Molecular conductors of BEDT-TTF with tris(oxalato)metallate anions, Coord. Chem. Rev., Volume 376 (2018), pp. 277-291

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