Yazar "Evecen, Meryem" için listeleme
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Amasya ili koşullarında 1 MWP kurulu gücünde yüzer tip ve arazi tipi enerji santrallerinin karşılaştırmalı analizi ve optimizasyonu
Tokul, Abdullah (Amasya Üniversitesi, 2021)İnsanlığın en temel ihtiyaçlarından biri olan enerji, 21. Yüzyıl dünyasında konfor amaçlı kullanımın da artmasıyla daha fazla ihtiyaç haline gelmiştir. Fosil yakıt rezervlerinin azalması ve fosil yakıt kullanımının doğaya ... -
Analysis on molecular, spectroscopic and electronic behavior of 4,4 '-(butane-1,4-diyl)bis(14(1-(4-chlorobenzyl)-1H-1,2,3-triazol-5-yl) methyl)-3-methyl-1H-1,2,4-triazol-5(4H)-one): A theoretical approach
Evecen, Meryem; Tanak, Hasan; Unver, Yasemin; Celik, Fatih; Semiz, Levent (ELSEVIER SCIENCE BV, 2018)In this study, 4,4'-(butane-1,4-diyl)bis(1-((1-(4-chlorobenzyl)-1H-1,2,3-triazol-5-yl)methyl)-3-methyl-1H-1,2,4-triazol-5(4H)-one) was synthesized and characterized by FT-IR, H-1 NMR and C-13 NMR. In addition, quantum ... -
Bazı isoindolin bileşiklerin fiziksel ve kimyasal özelliklerinin deneysel ve kuramsal yöntemler ile incelenmesi
Duru, Gülcan (Amasya Üniversitesi, 2017)Bu çalışmada sentezlenen isoindolin moleküllerinin(2-(4-ethoxyphenyl)isoindoline-1,3-dione ve 2-(3-chloro-4-(4-chlorophenoxy)phenyl) isoindoline-1,3-dione) yapılarının aydınlatılmasında hizmet alımı ile XRD yansıma verileri ... -
Bazı organik schıff baz bileşiklerinin moleküler yapılarının deneysel ve kuramsal yöntemler ile incelenmesi
Bozkurt, İlhan (Amasya Üniversitesi, 2019)Bu tez çalışmasında, ilk defa sentezlenmiş organik Schiff baz (Z)-4-brom-5-flor-2-((3-nitrofenilimino)metil)fenol ve (Z)-4-brom-2-(((2,4-dimetoksifenil)imino)metil)-5-florofenol bileşiklerinin yapısal ve titreşimsel ... -
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 ... -
A comparative theoretical study of three isomeric benzotriazolylpropanamides
Evecen, Meryem (Natl Inst Science Communication & Policy Research-Niscpr, 2022)Structural, vibrational and molecular electrostatic potential of the isomeric benzotriazolylpropanamides (2-methyl-3-(1H-benzotriazol-1-yl)propanamide, 2-methyl-3-(2H-benzotriazol-2-yl)propanamide and N,N-dimethyl-3-(1H- ... -
Crystal and Molecular Structure of 2-(4-Ethoxyphenyl)isoindoline-1,3-dione
Duru, Gulcan; Evecen, Meryem; Tanak, Hasan; Agar, Erbil (PLEIADES PUBLISHING INC, 2018)The 2-(4-ethoxyphenyl)isoindoline-1,3-dione has been synthesized and characterized by X-ray single-crystal diffraction. The compound crystallizes in the orthorhombic sp. gr. Pna2(1) with four molecules in the unit cell and ... -
DFT quantum chemical studies of (E)-4-Bromo-N-(2-chlorobenzylidene)-aniline
Evecen, Meryem; Tanak, Hasan (SPRINGER HEIDELBERG, 2017)The molecular geometry and electronic properties of the Schiff base compound (E)-4-Bromo-N-(2-chlorobenzylidene)-aniline in the ground state have been investigated using the density functional theory method (B3LYP) with ... -
Experimental (XRD, IR and NMR) and theoretical investigations on 1-(2-nitrobenzoyl)3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
Evecen, Meryem; Tanak, Hasan; Tinmaz, Feyza; Dege, Necmi; Ilhan, Ozer Ilhan (ELSEVIER SCIENCE BV, 2016)The pyrazole compound 1-(2-nitrobenzoyl)3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole (I) has been synthesized and characterized by IR, NMR and X-ray diffraction methods. The compound crystallizes in the monoclinic space ... -
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, ... -
First principle study of structural, electronic, mechanical, dynamic and optical properties of half-Heusler compound LiScSi under pressure
Ciftci, Yasemin O.; Evecen, Meryem (TAYLOR & FRANCIS LTD, 2018)In this study, several physical properties of LiScSi compound with MgAgAs phase were investigated via the plane-wave pseudo-potential technique in density functional theory (DFT). The calculated total energy-atomic volume ... -
First-Principles Study on the Structural, Elastic, Electronic and Vibrational Properties of Scandium Based Intermetalic Compounds (ScX, X = Co, Rh and Ir) Under Pressure
Evecen, Meryem; Ciftci, Yasemin Oztekin (AMER SCIENTIFIC PUBLISHERS, 2017)The structural, electronic, mechanic and vibrational properties of B2-type scandium intermetallic compounds, ScCo, ScRh and ScIr, are studied by performing ab-initio density functional theory using the Vienna Ab initio ... -
Investigation of antimicrobial activities, DNA interaction, structural and spectroscopic properties of 2-chloro-6-(trifluoromethyl)pyridine
Evecen, Meryem; Kara, Mehmet; Idil, Onder; Tanak, Hasan (ELSEVIER SCIENCE BV, 2017)2-Chloro-6-(trifluoromethyl)pyridine has been characterized by FT-IR, H-1 and C-13 NMR experiment. FT-IR spectra of the molecule has been recorded in the 4000-400 cm(-1) region. The molecular structural parameters and ... -
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 ... -
Molecular structure, spectroscopic and DFT studies of 2-(4 ethoxyphenyl) isoindoline-1,3-dione
Evecen, Meryem; Tanak, Hasan; Duru, Gulcan; Meral, Seher; Agar, Aysen Alaman (Natl Inst Science Communication-Niscair, 2021)2-(4-Ethoxyphenyl)isoindoline-1,3-dione molecule has been characterized by experimental FT-IR and UV-visible spectroscopic methods. Density factional theory calculations of the molecular structure and vibrational spectra ... -
Molecular structure, spectroscopic, and density functional theory studies of o-Dianisidine
Evecen, Meryem; Tanak, Hasan; Dege, Necmi; Kara, Mehmet; Dogan, Onur Erman; Agar, Erbil (TAYLOR & FRANCIS LTD, 2017)o-Dianisidine has been characterized by the FT-IR, UV-Vis, and X-ray single-crystal determination. The compound crystallizes in the orthorhombic space group Pbca with a = 7.2593 (4) angstrom, b = 21.3485 (10) angstrom, c ... -
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 ... -
Quantum chemical studies on the molecular structure, spectroscopic and electronic properties of (6-Methoxy-2-oxo-2H-chromen-4-yl)-methyl pyrrolidine-1-carbodithioate
Evecen, Meryem; Tanak, Hasan (DE GRUYTER OPEN LTD, 2016)In this paper, the molecular geometry, vibrational frequencies and chemical shifts of (6-Methoxy-2-oxo-2H-chromen-4-yl) methyl pyrrolidine-1-carbodithioate in the ground state have been calculated using the Hartree-Fock ...
