Browsing Makale Koleksiyonu by Author "N. Benhalima"

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Conformational, spectroscopic and nonlinear optical investigations on 1-(4-chlorophenyl)-3-(4-chlorophenyl)-2-propen-1-one: a DFT study

S. Alturk; N. Boukabcha; N. Benhalima; Tamer, Ömer; A. Chouaih; Avcı, Davut; Atalay, Yusuf; F. Hamzaoui (INDIAN ASSOC CULTIVATION SCIENCE, 2017)

The density functional theory calculations on 1-(4-chlorophenyl)-3-(4-chlorophenyl)-2-propen-1-one (CPCPP) are performed by using B3LYP and HSEh1PBE levels. These methods along with 6-311++G(d,p) basis set have been used ...
Spectroscopic (FT-IR,H-1 and C-13 NMR) characterization and density functional theory calculations for (Z)-5-(4-nitrobenzyliden)-3-N(2-ethoxyphenyl)-2-thioxo-thiazolidin-4-one (ARNO)

K. Toubal; N. Boukabcha; Tamer, Ömer; N. Benhalima; S. Alturk; Avcı, Davut; A. Chouaih; Atalay, Yusuf; A. Djafri; F. Hamzaoui (ELSEVIER SCIENCE BV, 2017)

In this work, the vibrational spectral analysis is carried out by using FTIR spectroscopy in the range 4000 -400 cm(-1) (2)-5-(4-nitrobenzyliden)-3-N(2-ethoxypheny1)-2-thioxo-thiazolidin-4-one (ARNO) molecule. Theoretical ...