Konu "Vibrational" için Araştırma Çıktıları | TR-Dizin | WoS | Scopus | PubMed listeleme
Toplam kayıt 3, listelenen: 1-3
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Comparative structural, spectroscopic and nonlinear optical analysis of a Schiff base compound with experimental and theoretical methods (HF, B3LYP and WB97X-D)
(Elsevier Gmbh, 2021)A novel Schiff base compound (E)-N-((2-iodophenyl)-1-(5-nitrothiophen-2-yl)methanimine has been synthesized. The structural characterization of Schiff base compound are confirmed by single crystal X-ray, FT-IR, and UV-vis ... -
The mechanical, dynamical, thermodynamical properties and elastic anisotropies of cubic YbAu compound under pressure
(Elsevier, 2022)The structural, elastic, vibrational, electronic and thermodynamic properties of thermodynamically important YbAu in B2 structure under pressure have been investigated by performing first principles method using DFT. The ... -
Structural, spectroscopic and electronic properties of 4-bromo-5-fluoro-2-((3-nitrophenylimino)methyl)phenol Schiff-base molecule: Experimental and theoretical investigations
(Elsevier B.V., 2019)A new Schiff-base 4-bromo-5-fluoro-2-((3-nitrophenylimino)methyl)phenol compound was synthesized and characterized using FT-IR, UV-Vis, NMR and single-crystal X-ray diffraction method. In addition to molecular geometry, ...