Davut Avcı

TL;DR: In this article, the first hyperpolarizability of some donor-acceptor oxadiazoles was investigated using ab-initio methods using different basis sets, starting with the minimal basis set, and then split valence sets.

TL;DR: The static and frequency dependent average polarizability (), first- and second-hyperpolarizabilities ( and ) and highest occupied molecular orbital (HOMO) and lowest occupied molecular orbitals (LUMO) energies of nonlinear optical chromophores with nitro acceptors 1-5 have been investigated by using the Austin Model 1 (AM1), Modified Neglect of Diatomic Overlap (MNDO), Parameterization Method 3 (PM3), Recife Model

TL;DR: In this article, the first hyperpolarizabilities have been calculated at the Hartree-Fock (HF) and density functional method (B3LYP) levels employing the corresponding basis sets.

TL;DR: The calculation of optimized molecular structure and molecular hyperpolarizability of four new acridine-benzothiazolylamine chromophores display significant second–order molecular nonlinearity, β and provide the basis for future design of efficient nonlinear optical materials having the acridines-benZothiazol-2-yl-amino core.

TL;DR: In this article, a novel Mn(II) complex with 1,3-Thiazolidine-2,4-dicarboxylic acid and 1,10 phenanthroline has been synthesized, and its FT-IR, FT-Raman and UV-vis spectra have been recorded.