Y. Atalay

发表

Solvent effect in implicit/explicit model on FT–IR, 1 H, 13 C and 19 F NMR, UV–vis and fluorescence spectra, linear, second– and third–nonlinear optical parameters of 2–(trifluoromethyl)benzoic acid: Experimental and computational study

D. Avcı, Sümeyye Altürk, Ö. Tamer, 2017 .

Aldehyde Substituted Phthalocyanines: Synthesis, Characterization and Investigation of Photophysical and Photochemical Properties

S. Yildiz, Y. Atalay, N. Dege, 2016, Journal of Fluorescence.

Synthesis, crystal structure, spectroscopic (FT-IR, 1H and 13C NMR) and nonlinear optical properties of a novel potential HIV-1 protease inhibitor

D. Avcı, Ö. Tamer, Y. Atalay, 2020, Chemical Physics Letters.

Optimized geometry, vibration (IR and Raman) spectra and nonlinear optical activity of p-nitroanilinium perchlorate molecule: A theoretical study

D. Avcı, Ö. Tamer, Y. Atalay, 2016 .

Linear and non-linear optical properties of some donor–acceptor oxadiazoles by ab initio Hartree-Fock calculations

D. Avcı, Y. Atalay, A. Başoğlu, 2008 .

Effects of different GIAO and CSGT models and basis sets on 2-aryl-1,3,4-oxadiazole derivatives

D. Avcı, Y. Atalay, 2009 .

Molecular Structure, Vibrational Spectra and Chemical Shift Properties of C12H9ClO4 and C12H9BrO4 Crystals by Density Functional Theory and ab initio Hartree-Fock Calculations

D. Avcı, Y. Atalay, E. Tarcan, 2009 .

Experimental and Computational Interaction Studies of (E)-N’-Benzylidene-5-Methyl-1H-Pyrazole-3-Carbohydrazide with α-Glucosidase and α-Amylase Enzymes: A Detailed Structural, Spectroscopic, and Biophysical Study

Y. Mabkhot, S. Radi, D. Avcı, 2022, Polycyclic Aromatic Compounds.

Synthesis, DFT calculations and molecular docking study of mixed ligand metal complexes containing 4,4′-dimethyl-2,2′-bipyridyl as α-glucosidase inhibitors

D. Avcı, Sümeyye Altürk, Ö. Tamer, 2020 .

Synthesis, spectral properties, α-glucosidase inhibition, second-order and third-order NLO parameters and DFT calculations of Cr(III) and V(IV) complexes of 3-methylpicolinic acid

D. Avcı, Sümeyye Altürk, Ö. Tamer, 2020 .

Synthesis, spectral properties, in vitro α‐glucosidase inhibitory activity and quantum chemical calculations of novel mixed‐ligand M(II) complexes containing 1,10‐phenanthroline

D. Avcı, Sümeyye Altürk, Ö. Tamer, 2020 .

Novel metal complexes containing 6-methylpyridine-2-carboxylic acid as potent α-glucosidase inhibitor: synthesis, crystal structures, DFT calculations, and molecular docking

D. Avcı, Sümeyye Altürk, Ö. Tamer, 2020, Molecular diversity.

Two New Co(II) Complexes of Picolinate: Synthesis, Crystal Structure, Spectral Characterization, α-Glucosidase İnhibition and TD/DFT Study

D. Avcı, Sümeyye Altürk, Ö. Tamer, 2019, Journal of Inorganic and Organometallic Polymers and Materials.

Novel Cu(II), Co(II) and Zn(II) metal complexes with mixed-ligand: Synthesis, crystal structure, α-glucosidase inhibition, DFT calculations, and molecular docking

D. Avcı, Sümeyye Altürk, Ö. Tamer, 2019 .

A novel series of mixed-ligand M(II) complexes containing 2,2′-bipyridyl as potent α-glucosidase inhibitor: synthesis, crystal structure, DFT calculations, and molecular docking

D. Avcı, Sümeyye Altürk, Ö. Tamer, 2019, JBIC Journal of Biological Inorganic Chemistry.

A novel series of M(II) complexes of 6‐methylpyridine‐2‐carboxylic acid with 4(5)methylimidazole: Synthesis, crystal structures, α‐glucosidase activity, density functional theory calculations and molecular docking

D. Avcı, Sümeyye Altürk, Ö. Tamer, 2019, Applied Organometallic Chemistry.

1 H –pyrazole–3–carboxylic acid: Experimental and computational study

D. Avcı, Sümeyye Altürk, Ö. Tamer, 2018, Journal of Molecular Structure.

Structure-property relationship of 3-(N-phthalimidomethyl)-4-amino-1,2,4-triazole-5-thione: A structural, spectroscopic and DFT study

D. Avcı, Ö. Tamer, Y. Atalay, 2017 .

Structural, spectroscopic, nonlinear optical and electronic properties of calcium N-phthaloylglycinate: A combined experimental and theoretical study

D. Avcı, Ö. Tamer, Y. Atalay, 2016 .

Synthesis, molecular structure, spectral analysis and nonlinear optical studies on 4-(4-bromophenyl)-1-tert-butyl-3-methyl-1H-pyrazol-5-amine: A combined experimental and DFT approach

D. Avcı, Ö. Tamer, Y. Atalay, 2016 .

A cobalt (II) complex with 6-methylpicolinate: Synthesis, characterization, second- and third-order nonlinear optical properties, and DFT calculations

D. Avcı, Sümeyye Altürk, Ö. Tamer, 2016 .

Characterisation of 1,3-diammonium propylselenate monohydrate by XRD, FT-IR, FT-Raman, DSC and DFT studies

Y. Atalay, M. Marchewka, V. Arjunan, 2016 .

Synthesis, crystal structure, spectroscopic characterization and nonlinear optical properties of manganese (II) complex of picolinate: A combined experimental and computational study

Y. Yerli, D. Avcı, Ö. Tamer, 2016 .

Synthesis, crystal structure, spectroscopic characterization and nonlinear optical properties of Co(II)- picolinate complex

D. Avcı, Ö. Tamer, Y. Atalay, 2015 .

Conformational, spectroscopic and nonlinear optical properties of biologically active N,N-dimethyltryptamine molecule: a theoretical study.

D. Avcı, Ö. Tamer, Y. Atalay, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Theoretical investigations on nonlinear optical and spectroscopic properties of 6-(3,3,4,4,4-pentafluoro-2-hydroxy-1-butenyl)-2,4-pyrimidinedione: An efficient NLO material

D. Avcı, Ö. Tamer, Y. Atalay, 2014, Russian Journal of Physical Chemistry A.

The Synthesis, Characterization, Crystal Structure and Photophysical Properties of a New Meso-BODIPY Substituted Phthalonitrile

S. Yildiz, Y. Atalay, N. Dege, 2015, Journal of Fluorescence.

The synthesis, characterization, crystal structure and theoretical calculations of a new meso-BOBIPY substituted phthalonitrile

S. Yildiz, Y. Atalay, N. Dege, 2014 .

Quantum chemical calculations on the geometrical, conformational, spectroscopic and nonlinear optical parameters of 5-(2-Chloroethyl)-2,4-dichloro-6-methylpyrimidine.

D. Avcı, Ö. Tamer, Y. Atalay, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Measurements of Ll, Lα, Lη, Lβ and Lγ X-ray fluorescence cross-sections in 70⩽Z⩽92 elements excited by 59.543keV photons

U. Çevik, Y. Atalay, B. Ertuǧral, 2001 .

A new dinuclear copper (II) complex of 2,5-Furandicarboxyclic acid with 4(5)-Methylimidazole as a high potential α-glucosidase inhibitor: Synthesis, Crystal structure, Cytotoxicity study, and TD/DFT calculations

D. Avcı, Sümeyye Altürk, Ö. Tamer, 2019, Applied Organometallic Chemistry.

Molecular structure and vibrational and chemical shift assignments of 5-(2-Hydroxyphenyl)-4-(p-tolyl)-2,4-dihydro-1,2,4-triazole-3-thione by DFT and ab initio HF calculations

D. Avcı, Y. Atalay, M. Şekerci, 2008, Journal of molecular modeling.

Molecular structure, vibrational and chemical shift assignments of 8-hydroxy-1-methylquinolinium iodide hydrate by density functional theory (DFT) and ab initio Hartree-Fock (HF) calculations.

D. Avcı, Y. Atalay, A. Başoğlu, 2008, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

5-Methyl-2-thiophenecarboxaldehyde: Experimental and TD/DFT study

D. Avcı, Ö. Tamer, Y. Atalay, 2018, Journal of Molecular Structure.

Experimental and theoretical study of 4-cyanobenzaldehyde isonicotinoyl-hydrazone monohydrate

Y. Atalay, S. Guner, A. Dolma, 2010 .

Calculated on 1H and 13C NMR chemical shifts of 2,4‐difluorobenzaldehyde isonicotinoylhydrazone and 2,3‐dichlorobenzaldehyde isonicotinoylhydrazone with GIAO, IGAIM, and CSGT models

D. Avcı, Y. Atalay, E. Tarcan, 2009 .

A Theoretical Study on N′-[(Z)-(4-Methylphenyl)Methylidene]-4-Nitrobenzohydrazide (NMPMN)

D. Avcı, Ö. Tamer, Y. Atalay, 2018 .

Theoretical Investigation of N-Methyl-N'-(4-nitrobenzylidene) pyrazine-2-carbohydrazide: Conformational Study, NBO Analysis, Molecular Structure and NMR Spectra

D. Avcı, Ö. Tamer, Y. Atalay, 2015 .

Synthesis, structural and spectroscopic evaluations and nonlinear optical properties of 3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioic O-acid.

D. Avcı, Ö. Tamer, Y. Atalay, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Theoretical Investigation of 6-(3,3,4,4,4-Pentafluoro-2-Hydroxy-1-Butenyl)-2,4-Dimethoxy-Pyrimidine Molecule

D. Avcı, Ö. Tamer, Y. Atalay, 2014 .

Quantum chemical computational studies on bis-thiourea zinc acetate

D. Avcı, Ö. Tamer, Y. Atalay, 2013 .

Molecular structure, vibrational spectra, NLO and NBO analysis of bis(8-oxy-1-methylquinolinium) hydroiodide.

D. Avcı, Y. Atalay, N. Günay, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Ab initio HF and DFT calculations on an organic non-linear optical material

D. Avcı, Y. Atalay, A. Başoğlu, 2010 .

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

A. Chouaih, D. Avcı, Sümeyye Altürk, 2017 .

Solvent Effects on Molecular Structure, Vibrational Frequencies, and NLO Properties of N-(2,3-Dichlorophenyl)-2-Nitrobenzene–Sulfonamide: a Density Functional Theory Study

A. Chouaih, D. Avcı, Ö. Tamer, 2016 .

Molecular structure and vibrational and chemical shift assignments of 3,5-bis-(4-methylbenzoyl)-2,6-bis(4-methylphenyl)-4H-pyran-4-one: A combined experimental and theoretical analysis

D. Avcı, Y. Atalay, E. Tarcan, 2010 .

Static/dynamic first and second order hyperpolarizabilities, optimized structures, IR, UV-Vis, 1H and 13C NMR spectra for effective charge transfer compounds: A DFT study.

D. Avcı, Ö. Tamer, Y. Atalay, 2022, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

The synthesis, characterization and theoretical study on nicotinic acid [1-(2,3-dihydroxyphenyl)methylidene]hydrazide.

D. Avcı, Ö. Tamer, Y. Atalay, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Theoretical analysis on structural, spectroscopic, and electronic properties of some 2-aminobenzimidazole complexes by using PBE1PBE, B3LYP, and HF methods

D. Avcı, Ö. Tamer, Y. Atalay, 2014 .

Calculations of Electronic Structure and Nonlinear Optical Parameters of 4-Methoxybenzaldehyde-N-Methyl-4-Stilbazolium Tosylate*

D. Avcı, Ö. Tamer, Y. Atalay, 2014 .

DFT Calculations on the Molecular Structure, Vibrational and Chemical Shift Assignments of 4-Allyl-2-(morpholin-4-ylmethyl)-5-(pyridin-4-yl)-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione

D. Avcı, Y. Atalay, H. Cömert, 2011 .

Molecular structure and vibrational and chemical shift assignments of 3-(2-hydroxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-(4H)-thione by DFT and ab initio HF calculations.

D. Avcı, Y. Atalay, M. Şekerci, 2009, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

GIAO Calculations of Chemical Shifts in Ethene‐1,1,2,2‐tetrayltetramethylene tetrathiocyanate

D. Avcı, Y. Atalay, 2008 .

Molecular structure, IR and NMR spectra of 2,6 distyrylpyridine by density functional theory and ab initio Hartree-Fock calculations.

D. Avcı, Y. Atalay, A. Başoğlu, 2008, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Determination and analysis of the dispersive optical constants of the 5,5′,6,6′-tetraphenyl-2,2′-bi([1,3]dithiolo[4,5-b][1,4]dithiinylidene)–DDQ complex thin film

D. Avcı, Y. Atalay, E. Ertaş, 2008 .

Geometry Optimization, Spectral Analysis, Molecular Electrostatic Potential Surface, and Nonlinear Optical Activity of 4-Methyl Anilinium Phenolsulfonate: a DFT Study

D. Avcı, Ö. Tamer, Y. Atalay, 2015 .

Crystal structure and spectroscopic characterization of (E)-2-(((4-bromo-2-(trifluoromethoxy)phenyl)imino)methyl)-4-nitrophenol: A combined experimental and computational study

D. Avcı, Ö. Tamer, Y. Atalay, 2014 .

Structural and Dielectrical Properties of MnO2-V2O5-SnO Mixed Oxides System at 1023 Κ

Y. Atalay, K. Esmer, Ε. Tarcan,, 2008 .

Density functional theory calculations on conformational, spectroscopic and electrical properties of 3-(2,3-dimethoxyphenyl)-1-(pyridin-2-yl)prop-2-en-1-one: a potential nonlinear optical material

D. Avcı, Ö. Tamer, Y. Atalay, 2016 .

First and second order hyperpolarizabilities of flavonol derivatives: A density functional theory study.

D. Avcı, Ö. Tamer, Y. Atalay, 2022, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

DFT calculations on spectroscopic, structural and NLO properties of silver (I) complex with picolinamide

D. Avcı, Sümeyye Altürk, Ö. Tamer, 2017 .

The second– and third– order nonlinear optical properties and electronic transition of a NLO chromophore: A DFT study

D. Avcı, Sümeyye Altürk, Ö. Tamer, 2016 .

DFT calculations on spectroscopic and structural properties of a NLO chromophore

D. Avcı, Sümeyye Altürk, Ö. Tamer, 2016 .

2-thioxo -3N-(2-ethoxyphenyl) -5[4′-methyl -3′N-(2′-ethoxyphenyl) thiazol-2′(3′H)-ylidene] thiazolidin-4-one: Growth, spectroscopic behavior, single-crystal investigation, Hirshfeld surface analysis, DFT/TD-DFT computational studies and NLO evaluation

A. Chouaih, Y. Atalay, N. Dege, 2022, Phosphorus, Sulfur, and Silicon and the Related Elements.

Theoretical Studies of Molecular Structure and Vibrational Spectra of Melaminium Salt: 2,4,6-Triamino-1,3,5-triazin-1,3-ium Tartrate Monohydrate

D. Avcı, Y. Atalay, A. Pekparlak, 2012 .

Effects of different basis sets and donor‐acceptor groups on linear and second‐order nonlinear optical properties and molecular frontier orbital energies

D. Avcı, Y. Atalay, A. Başoğlu, 2011 .

Theoretical analysis of vibrational spectra and scaling‐factor of 2‐aryl‐1,3,4‐oxadiazole derivatives

D. Avcı, Y. Atalay, 2009 .

Novel metal complexes containing 6-methylpyridine-2-carboxylic acid as potent α-glucosidase inhibitor: synthesis, crystal structures, DFT calculations, and molecular docking

D. Avcı, Sümeyye Altürk, Ö. Tamer, 2020, Molecular Diversity.

A novel series of mixed-ligand M(II) complexes containing 2,2′-bipyridyl as potent α-glucosidase inhibitor: synthesis, crystal structure, DFT calculations, and molecular docking

D. Avcı, Sümeyye Altürk, Ö. Tamer, 2019, JBIC Journal of Biological Inorganic Chemistry.

Theoretical analysis on structural, spectroscopic, and electronic properties of some 2-aminobenzimidazole complexes by using PBE1PBE, B3LYP, and HF methods

D. Avcı, Ö. Tamer, Y. Atalay, 2014, Optics and Spectroscopy.

SPECTROSCOPIC STUDY, NLO PROPERTIES AND HOMO–LUMO ANALYSIS ON DIFFERENT DONOR AND ACCEPTOR SUBSTITUENTS OF THIAZOLYLAZOPYRIMIDINE CHROMOPHORES

D. Avcı, Ö. Tamer, Y. Atalay, 2013 .

Effects of donor-acceptor groups on the structural and electronic properties of 4-(methoxymethyl)-6-methyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile.

D. Avcı, Ö. Tamer, Y. Atalay, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Synthesis, crystal structure, spectroscopic characterization and nonlinear optical properties of (Z)-N'-(2,4-dinitrobenzylidene)-2-(quinolin-8-yloxy) acetohydrazide

A. Chouaih, D. Avcı, Ö. Tamer, 2019, Journal of Molecular Structure.

Copper(II) complex with 6-methylpyridine-2-carboxyclic acid: Experimental and computational study on the XRD, FT-IR and UV-Vis spectra, refractive index, band gap and NLO parameters.

D. Avcı, Sümeyye Altürk, Ö. Tamer, 2018, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Synthesis, X-ray structure, spectroscopic characterization and nonlinear optical properties of Nickel (II) complex with picolinate: A combined experimental and theoretical study

D. Avcı, Ö. Tamer, Y. Atalay, 2015 .

(E, E)S, S′-bis(2-benzimidazolylmethyl) dithioglyoxime, synthesis and characterization of heterotrinuclear complexes of and determination of their metal contents by EDXRF analysis

U. Çevik, S. Yildiz, Y. Atalay, 2008 .

Studies on the Synthesis of bis(Benzo diaza 23-crown-7) and its Complexes with K+, Mg2+, Ca2+ and Ba2+ Perchlorates

Y. Gök, Y. Atalay, 1997 .

Synthesis, crystal structure, spectroscopic characterization, α-glucosidase inhibition and computational studies of (E)-5-methyl-N′-(pyridin-2-ylmethylene)-1H-pyrazole-3-carbohydrazide

Y. Mabkhot, S. Radi, D. Avcı, 2022, Journal of Molecular Structure.

Synthesis, X-Ray crystal structure, photophysical characterization and nonlinear optical properties of the unique manganese complex with picolinate and 1,10 phenantroline: toward the designing of new high NLO response crystal

D. Avcı, Ö. Tamer, Y. Atalay, 2016 .

Spectroscopic (FT-IR,1H and 13C NMR) characterization and density functional theory calculations for (Z)-5-(4-nitrobenzyliden)-3-N(2-ethoxyphenyl)-2-thioxo-thiazolidin-4-one (ARNO)

A. Chouaih, D. Avcı, Sümeyye Altürk, 2017 .

Synthesis of the first mixed ligand Mn (II) and Cd (II) complexes of 4‐methoxy‐pyridine‐2‐carboxylic acid, molecular docking studies and investigation of their anti‐tumor effectsin vitro

O. Orun, D. Avcı, Ö. Tamer, 2020 .

Synthesis, crystal structure, photophysical properties, density functional theory calculations and molecular docking studies on Cd(II) complex of 4,4′-dimethyl-2,2′-dipyridyl

D. Avcı, Ö. Tamer, Y. Atalay, 2020, Journal of Molecular Structure.

THE SYNTHESIS AND CHARACTERIZATION OF NOVEL (E, E)-DIOXIMES AND THEIR MONO- AND HETERONUCLEAR COMPLEXES

Y. Gök, Y. Atalay, S. Karaböcek, 1995 .

A theoretical study on 1-(thiophen-2-yl-methyl)-2-(thiophen-2-yl)-1H-benzimidazole.

F. Yakuphanoglu, D. Avcı, Y. Atalay, 2007, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Crystal structure, spectroscopic (FT-IR, 1 H and 13 C NMR) characterization and density functional theory calculations on Ethyl 2-(dichloromethyl)-4-methyl-1-phenyl-6-thioxo-1,6-dihydropyrimidine-5-carboxylate

D. Avcı, Ö. Tamer, Y. Atalay, 2018, Journal of Molecular Structure.

Correction to: A novel series of mixed-ligand M(II) complexes containing 2,2′-bipyridyl as potent α-glucosidase inhibitor: synthesis, crystal structure, DFT calculations, and molecular docking

D. Avcı, Sümeyye Altürk, Ö. Tamer, 2021, JBIC Journal of Biological Inorganic Chemistry.

A theoretical study on structural, spectroscopic, electronic and electric properties of 4-chloro 4-nitrostilbene

D. Avcı, Ö. Tamer, Y. Atalay, 2015 .

Crystal structure and Hirshfeld surface analysis of (succinato-κO)[N,N,N′,N′-tetrakis(2-hydroxyethyl)ethylenediamine-κ5 O,N,N′,O′,O′′]nickel(II) tetrahydrate

Y. Topcu, Y. Atalay, N. Dege, 2018, Acta crystallographica. Section E, Crystallographic communications.

AN INFRARED SPECTROSCOPIC STUDY ON A DIVALENT METAL SALT OF p-AMINOBENZOIC ACID [ABA(Mg)] TETRACYANONICKELATE

Y. Atalay, İ. Okur, Z. Demir, 2002 .

Crystal growth, structural and spectroscopic characterization, antimicrobial activity, DNA cleavage, molecular docking and density functional theory calculations of Zn(II) complex with 2-pyridinecarboxylic acid

D. Avcı, Ö. Tamer, Y. Atalay, 2018, Applied Organometallic Chemistry.

Structural, Electronic, Thermodynamic, Optical and Nonlinear Optical Properties of Curcumin Complexes with Transition Metals: DFT and TD‐DFT Study

H. Chermette, Ö. Tamer, Y. Atalay, 2022, ChemistrySelect.

Synthesis, X-ray structure, spectroscopic characterization and nonlinear optical properties of triaqua(1,10-phenanthroline-2,9-dicarboxylato)manganese(II) dihydrate: A combined experimental and theoretical study

Y. Yerli, D. Avcı, Ö. Tamer, 2015 .

A novel Cu(II) Complex of Picolinate and 1,10-Phenanthroline: Preparation, Crystal Structure Determination, Spectroscopic Characterization and Nonlinear Optical Studies

D. Avcı, Ö. Tamer, Y. Atalay, 2017, Journal of Inorganic and Organometallic Polymers and Materials.

Quantum chemical characterization of N-(2-hydroxybenzylidene)acetohydrazide (HBAH): a detailed vibrational and NLO analysis.

D. Avcı, Ö. Tamer, Y. Atalay, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Three novel Cu(II), Cd(II) and Cr(III) complexes of 6−Methylpyridine−2−carboxylic acid with thiocyanate: Synthesis, crystal structures, DFT calculations, molecular docking and α-Glucosidase inhibition studies

D. Avcı, Sümeyye Altürk, Ö. Tamer, 2018, Tetrahedron.

Comparison of different hybrid DFT methods on structural, spectroscopic, electronic and NLO parameters for a potential NLO material

D. Avcı, Sümeyye Altürk, Ö. Tamer, 2017 .

Synthesis, spectroscopic characterization, second and third-order nonlinear optical properties, and DFT calculations of a novel Mn(II) complex

D. Avcı, Sümeyye Altürk, Ö. Tamer, 2015 .

NLO and NBO Analysis of Sarcosine-Maleic Acid by Using HF and B3LYP Calculations

D. Avcı, Y. Atalay, N. Günay, 2013 .

Solvatochromic effect on UV–vis absorption and fluorescence emission spectra, second- and third-order nonlinear optical properties of dicyanovinyl-substituted thienylpyrroles: DFT and TDDFT study

D. Avcı, Ö. Tamer, Y. Atalay, 2016 .

An experimental and theoretical study on the novel (Z)-1-((naphthalen-2-ylamino)methylene)naphthalen-2(1H)-one crystal.

D. Avcı, Ö. Tamer, Y. Atalay, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Quantum chemical computational studies on bisthiourea zinc chloride

D. Avcı, Y. Atalay, N. Günay, 2012, Indian Journal of Physics.

Synthesis, spectroscopic characterization and DFT calculations on N-(Phenylsulfonyl)-l-asparagine (NPLAS): A potential nonlinear optical material

D. Avcı, Ö. Tamer, Y. Atalay, 2016 .

Quantum chemical calculations of glycine glutaric acid

D. Avcı, Ö. Tamer, Y. Atalay, 2017 .

Theoretical investigation of 5-(2-acetoxyethyl)-6-methylpyrimidin-2,4-dione: conformational study, NBO and NLO analysis, molecular structure and NMR spectra.

D. Avcı, Ö. Tamer, Y. Atalay, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Ab initio Hartree-Fock calculations on linear and second-order nonlinear optical properties of new acridine-benzothiazolylamine chromophores

D. Avcı, Y. Atalay, H. Cömert, 2008, Journal of molecular modeling.

Theoretical studies of molecular structure and vibrational spectra of melaminium citrate.

D. Avcı, Y. Atalay, 2007, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Structural, Spectroscopic, Electronic Analysis with Nonlinear Optical Activity of L-Methionine L-Methioninium Hydrogen Maleate: A DFT Study

Y. Atalay, A. Ünal, M. Okur, 2020 .

Molecular structure and vibrational spectra of melamine diborate by density functional theory and ab initio Hartree–Fock calculations

D. Avcı, Y. Atalay, A. Başoğlu, 2005 .

Theoretical Studies of Molecular Structure and Vibrational Spectra of Melaminium Salt: 2,4,6-Triamino-1,3,5-triazin-1,3-ium Tartrate Monohydrate

D. Avcı, Y. Atalay, A. Pekparlak, 2011, Arabian Journal for Science and Engineering.

Theoretical studies of molecular structure and vibrational spectra of melaminium acetate acetic acid solvate monohydrate.

D. Avcı, Y. Atalay, H. Cömert, 2010, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Molecular structure and vibrational assignment of melaminium phthalate by density functional theory (DFT) and ab initio Hartree-Fock (HF) calculations.

D. Avcı, Y. Atalay, E. Tarcan, 2008, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

A theoretical study on N-phenyl-N'-(2-thienylmethylene)hydrazine.

F. Yakuphanoglu, Y. Atalay, M. Şekerci, 2007, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Computational note on theoretical studies of ethene-1,1,2,2-tetrayltetramethylene tetrathiocyanate

D. Avcı, Y. Atalay, Kemal Sancak, 2006 .

The molecular structure and vibrational spectra of 1-amino-5-benzoyl-4-phenylpyrimidin-2(1H) by Hartree-Fock and density functional methods.

F. Yakuphanoglu, Y. Atalay, M. Şekerci, 2006, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational spectra and molecular structure of chiral and racemic 4-phenyl-1,3-oxazolidin-2-one by density functional theory and ab initio Hartree-Fock calculations.

F. Ucun, D. Avcı, Y. Atalay, 2006, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Theoretical studies of molecular structure and vibrational spectra of 2-amino-5-phenyl-1,3,4-thiadiazole.

F. Yakuphanoglu, D. Avcı, Y. Atalay, 2006, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Theoretical studies of molecular structure and vibrational spectra of glutaconic acid

D. Avcı, Y. Atalay, A. Başoğlu, 2006 .

Molecular structure and vibrational spectra of [2-Oxo-2-(4-acetyl) phenyl amino] ethylene methacrylate by density functional theory and ab initio Hartree–Fock calculations

F. Yakuphanoglu, Y. Atalay, I. Erol, 2005 .

Dielectrical Properties of a Novel Porcelain Produced from Natural Clay, Waste Glass and Fly Ash

Y. Atalay, E. Tarcan, M. Okutan, 2009 .

Synthesis and theoretical calculations of carbazole substituted chalcone urea derivatives and studies their polyphenol oxidase enzyme activity

Y. Atalay, M. Arslan, N. Gençer, 2013, Journal of enzyme inhibition and medicinal chemistry.

Antimicrobial activities, DNA interactions, spectroscopic (FT-IR and UV-Vis) characterizations, and DFT calculations for pyridine-2-carboxylic acid and its derivates

D. Avcı, Ö. Tamer, Y. Atalay, 2018 .

Crystallographic, spectroscopic, thermal, optical investigations and density functional theory calculations for novel Co(II) and Mn(II) complexes

D. Avcı, Ö. Tamer, Y. Atalay, 2021, Applied Physics A.

Concentration effects on optical properties, DFT, crystal characterization and α-glucosidase activity studies: Novel Zn(II) complex.

D. Avcı, Ö. Tamer, Y. Atalay, 2021, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Comparative study of DFT/B3LYP, B3PW91, and HSEH1PBE methods applied to molecular structures and spectroscopic and electronic properties of flufenpyr and amipizone

D. Avcı, Ö. Tamer, Y. Atalay, 2015 .

The Synthesis, Characterization, Crystal Structure and Photophysical Properties of a New Meso-BODIPY Substituted Phthalonitrile

S. Yildiz, Y. Atalay, N. Dege, 2015, Journal of Fluorescence.

The effects of electronegative substituent atoms on structural, vibrational, electronic and NLO properties of some 4-nitrostilbene derivates.

D. Avcı, Ö. Tamer, Y. Atalay, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Aldehyde Substituted Phthalocyanines: Synthesis, Characterization and Investigation of Photophysical and Photochemical Properties

Y. Atalay, N. Dege, A. Erdoğmuş, 2016, Journal of Fluorescence.

A new dinuclear copper(II) complex of 2,5‐furandicarboxyclic acid with 4(5)‐methylimidazole as a high potential α‐glucosidase inhibitor: Synthesis, crystal structure, cytotoxicity study, and TD/DFT calculations

D. Avcı, Sümeyye Altürk, Ö. Tamer, 2022, Applied organometallic chemistry.

Novel Mn(II) and Zn(II) complexes of 6‐bromopicolinic acid as a potential optical material: Synthesis, spectral characterizations, linear, and nonlinear optical properties and density functional theory calculations

D. Avcı, Sümeyye Altürk, Ö. Tamer, 2021 .

Density functional theory calculations on (2e)-3-(3-Bromo-4-methoxyphenyl)-1-(pyridin-2-yl) prop-2-en-1-one

D. Avcı, Ö. Tamer, Y. Atalay, 2017 .

Structural and Spectroscopic Characterization of 1-(5-Bromothiophen-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one: An Analysis of Electronic and NLO Properties

D. Avcı, Ö. Tamer, Y. Atalay, 2014 .

Theoretical Investigation of 6-(3,3,4,4,4-Pentafluoro-2-Hydroxy-1-Butenyl)-2,4-Dimethoxy-Pyrimidine Molecule

D. Avcı, Ö. Tamer, Y. Atalay, 2014, Arabian Journal for Science and Engineering.

Determination of the optical constants of 2-amino-5-phenyl-1,3,4-thiadiazole by Hartree–Fock and density functional method (B3LYP)

F. Yakuphanoglu, Y. Atalay, M. Şekerci, 2005 .

A theoretical study on 3-(4-methoxyphenyl)-1-(pyridin-2-Yl) prop-2-en-1-one

D. Avcı, Ö. Tamer, Y. Atalay, 2016 .

Optimized geometry, spectroscopic characterization and nonlinear optical properties of carbazole picrate: a density functional theory study

D. Avcı, Ö. Tamer, Y. Atalay, 2018 .

Optimized geometry, spectroscopic characterization and nonlinear optical properties of carbazole picrate: a density functional theory study

D. Avcı, Ö. Tamer, Y. Atalay, 2018, Indian Journal of Physics.

Synthesis, crystal structures, and DFT calculations: novel Mn(II), Co(II) and Ni(II) complexes of N-(pyridin-2-ylmethylene)methanamine with isothiocyanate as promising optical materials

D. Avcı, Ö. Tamer, Y. Atalay, 2023, Optical and Quantum Electronics.

1-Pentamethylbenzyl-3-(n)buthylbenzimidazolesilver(I)bromide complex: synthesis, characterization and DFT calculations.

D. Avcı, Ö. Tamer, Y. Atalay, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Crystal structure and Hirshfeld surface analysis of (E)-2-(2,4,6-trimethylbenzylidene)-3,4-dihydronaphthalen-1(2H)-one

Irina A. Golenya, Y. Atalay, N. Dege, 2019, Acta crystallographica. Section E, Crystallographic communications.

Calculations of Electronic Structure and Nonlinear Optical Parameters of 4-Methoxybenzaldehyde-N-Methyl-4-Stilbazolium Tosylate*

D. Avcı, Ö. Tamer, Y. Atalay, 2014, Journal of Applied Spectroscopy.

A Theoretical Study on Structural, Spectroscopic, Electronic and Nonlinear Optical Properties of 1-[(E)-{[4-(Morpholin-4-Yl)Phenyl]Imino}Methyl]Naphthalen-2-Ol

D. Avcı, Ö. Tamer, Y. Atalay, 2016, Brazilian journal of physics.

1-Pentamethylbenzyl-3-(n)buthylbenzimidazolesilver(I)bromide complex: synthesis, characterization and DFT calculations.

D. Avcı, Ö. Tamer, Y. Atalay, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

complex: Synthesis, characterization and DFT calculations

D. Avcı, Ö. Tamer, Y. Atalay, 2014 .

In vitro α-glucosidase, docking and density functional theory studies on novel azide metal complexes.

D. Avcı, Ö. Tamer, Y. Atalay, 2024, Future medicinal chemistry.

Effects of donor-acceptor groups on the structural and electronic properties of 4-(methoxymethyl)-6-methyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile.

D. Avcı, Ö. Tamer, Y. Atalay, 2014, Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy.

A new mixed-ligand zinc(II) complex of 3-hydroxy and 4-chloro substituted pyridine-2-carboxylic acid: Synthesis, characterization, NLO properties and DFT calculation

D. Avcı, Ö. Tamer, Y. Atalay, 2024, Materials Today Communications.

Investigation on the effect of complex formation on prominent high static/dynamic first and second hyperpolarizability of Co(II) complex including 4-chloro-Pyridine-2-Carboxylic acid

D. Avcı, Ö. Tamer, Y. Atalay, 2025, Materials Science in Semiconductor Processing.