Yazar "Evecen, Meryem" için Scopus İndeksli Yayınlar Koleksiyonu listeleme
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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)
Evecen, Meryem; Tanak, Hasan; Agar, Aysen Alaman; Meral, Seher; Ozdemir, Namik (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 ... -
Experimental and theoretical investigations, enzyme inhibition activity and docking study of 5-methyl-4-(2-(piperazin-1-yl)ethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Evecen, Meryem; Celik, Fatih; Bektas, Ersan; Gueler, Halil Ibrahim; uenver, Yasemin (Elsevier, 2023)5-methyl-4-(2-(piperazin-1-yl)ethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (I), title compound was synthe-sized and characterized by FTIR, NMR ( 1 H-and 13 C NMR) and Mass spectroscopy. The optimized geo-metrical structure, ... -
The mechanical, dynamical, thermodynamical properties and elastic anisotropies of cubic YbAu compound under pressure
Durukan, Ilknur Kars; Evecen, Meryem; Ciftci, Yasemin O. (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 ... -
Preparation, spectroscopic, X-ray crystallographic, DFT, antimicrobial and ADMET studies of N-[(4-flourophenyl)sulfanyl]phthalimide
Cakmak, Sukriye; Aycan, Tugba; Yakan, Hasan; Veyisoglu, Aysel; Tanak, Hasan; Evecen, Meryem (Int Union Crystallography, 2023)N-[(4-Fluorophenyl)sulfanyl]phthalimide (C14H8FNO2S, FP) was synthesized and characterized using X-ray crystallography. It was then investigated via quantum chemical analysis using the density functional theory (DFT) ... -
Pressure effects on electronic, elastic, and vibration properties of metallic antiperovskite PbNCa3 by ab initio calculations
Ciftci, Yasemin O.; Evecen, Meryem; Alp, Irem O. (Springer, 2021)Ab initio computations are performed to study the structural, elastic, electronic, and vibrational characteristics of the cubic antiperovskite compound PbNCa3 under pressure up to 50 GPa. By using the generalized gradient ... -
Pressure effects on structural, electronic and anisotopic elastic properties of Si doped RuGe compound with different concentrations by first-principles calculations
Ciftci, Yasemin Oztekin; Coban, Cansu; Evecen, Meryem; Durukan, lknur Kars (Elsevier Science Sa, 2022)In this study, we have performed first-principles density functional theory (DFT) calculations to investigate pressure and composition effects on the structural, elastic, and electronic properties of silicon doped RuGe ...