A DFT study: ranking of antioxidant activity of various candidate molecules
UNEC Journal of Engineering and Applied Sciences, Vol. 1, No. 2, Mayıs 2022, s. 33-40, ISSN: 2790-2358
ENİSOĞLU ATALAY VİLDAN, ATİŞ İREM SUDE, ŞAHİN KORKUT FURKAN, KAŞIKÇI EMEL, KARAHAN MESUT
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Synthesis and spectral properties of symmetrically arylated BODIPY dyes: Experimental and computational approach
Elsevier BV, Vol. 1291, Kasım 2023, ISSN: 0022-2860
YILMAZ RAŞİT FİKRET, DERİN YAVUZ, ALBAYRAK MISIR BÜŞRA, ENİSOĞLU ATALAY VİLDAN, TUTAR ÖMER FARUK, ÖKTEN SALİH, TUTAR AHMET
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Voltammetric quantification, spectroscopic, and DFT studies on the binding of the antineoplastic drug Azacitidine with DNA
Elsevier BV, Vol. 237, Ocak 2024, ISSN: 0731-7085
ŞENEL PELİN, AGAR SOYKAN, YURTSEVER MİNE, GÖLCÜ AYŞEGÜL
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Voltammetric quantification, spectroscopic, and DFT studies on the binding of the antineoplastic drug Azacitidine with DNA
Journal of Pharmaceutical and Biomedical Analysis, Vol. 237, No. 115746, Ocak 2024, ISSN: 0731-7085
ŞENEL PELİN,AGAR SOYKAN,YURTSEVER MİNE,GÖLCÜ AYŞEGÜL
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Challenging the frontiers of superparamagnetism through strain engineering: DFT investigation and co-precipitation synthesis of large aggregated Fe3O4 (magnetite) powder
Elsevier BV, Vol. 968, Aralık 2023, ISSN: 0925-8388
SARAÇOĞLU MERT, MANSOOR MUBASHİR, BAKIRDÖVEN UTKU, ARPALI HANDENUR, GEZİCİ UTKU ORÇUN, TİMUR SERVET İBRAHİM
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Synthesis reactions and DFT study of tropolone N N dimethylthiocarbamate
TETRAHEDRON, Vol. 71, Ağustos 2015, s. 5391-5398, ISSN: 0040-4020
ZAİM ÖMER, TÜZÜN NURCAN, ÇEVİK BÜŞRA, ÖZCAN HAFİZE, BOZ ESRA
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Highly efficient novel unsymmetrical Zn and TiO naphthalenephthalocyanine and YD2 porphyrin dyes as co-sensitizers for DSSCs
OPTICAL MATERIALS, Vol. 152, Ocak 2024, s. 11, ISSN: 0925-3467
ÜNLÜ BURAK,SEVİM ALTUĞ MERT,ÇAKAR SONER,ÖZACAR MAHMUT,GÜL AHMET
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DFT Study on the His-Tag Binding Affinity of Metal Ions in Modeled Hexacationic Metal Complexes
ACS Omega, Vol. 9, Kasım 2024, ISSN: 2470-1343
YILDIZ ALPARSLAN NUMAN,KASAPBAŞI EMİNE ESRA,YURTSEVER ZEYNEP,YURTSEVER MİNE
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Regioselectivity Patterns in Radical Cyclization of Diosphenol Derivatives with Different Ring Size: A Combined Experimental and DFT Study ChemistrySelect
ChemistrySelect, Vol. 6, Şubat 2021, s. 1748-1755, ISSN: 2365-6549
BOZ ESRA, ÖZCAN HAFİZE, ZAİM ÖMER, TÜZÜN NURCAN
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DFT CALCULATIONS ON CONVENTIONAL BINUCLEAR CuAAC REACTION MECHANISM AND RECENT EXPERIMENTS
ESPA 2016 10th Congress on Electronic Structure: Principles and Applications, Castellón/İSPANYA, 28 Haziran 2016
ÖZKILIÇ YILMAZ,TÜZÜN NURCAN
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Energy transfer processes in 1,3-bis(pyridyl) iminoisoindoline based donor–acceptor system – Synthesis, photophysics, and TD-DFT study
Inorganic Chemistry Communications, Vol. 146, Aralık 2022, ISSN: 1387-7003
GÜMRÜKÇÜ SELİN,KATIRCI RAMAZAN,ÖZÇEŞMECİ MUKADDES,ÜNLÜ CANER,ÖZÇEŞMECİ İBRAHİM
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Regioselectivity Patterns in Radical Cyclization of Diosphenol Derivatives with Different Ring Size: A Combined Experimental and DFT Study
ChemistrySelect, Şubat 2021, ISSN: 2365-6549
BOZ ESRA, ÖZCAN HAFİZE, ZAİM ÖMER, TÜZÜN NURCAN
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Synthesis of a Novel and More Sustainable Cationic Bleach Activator,N-[4-(N,N,N)-Triethylammoniumchloride-butanoyl] Butyrolactam, for Cotton: Optimization and Theoretical Limitations
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, Vol. 10, No. 14, Mart 2022, ISSN: 2168-0485
YILDIRIM EROL,ALTAY PELİN,GÜRSOY NEVİN ÇİĞDEM,J. HAUSER PETER,EL-SHAFEİ AHMED
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IR and Raman spectroscopy reveal amino acid–surface interactions on B- and N-doped hydroxylated graphene quantum dots: a DFT study
RSC Advances, Vol. 16, Ocak 2026, s. 7750-7763, ISSN: 2046-2069
ARSLAN BERKE ÖZGÜR,YURTSEVER MİNE
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Structure–reactivity relationships in DDQ-based charge-transfer complexes: Single-crystal XRD, spectroscopic, DFT studies and photoinitiation efficiency in cationic polymerization
Reactive and Functional Polymers, Vol. 221, Nisan 2026, ISSN: 1381-5148
KILIÇLAR HÜSEYİN CEM,SÜTAY BERKAY,NATAJARAN PALANİ,METİN ÖNDER,YAĞCI YUSUF,KAYA KEREM
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A DFT study on interaction between Au, Re and AuRe surfaces with species involved in WGS reaction
Europacat 2017, 27 Ağustos 2017
UZUN ALİ,SELEN ÇAĞLAYAN BURCU,AKSOYLU AHMET ERHAN
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A DFT Study on the Role of Oxygen Vacancy on m-ZrO2 ( ) in Adsorption and Dissociation of CO2
Europacat 2023, 27 Ağustos 2023
ÖZKAN DALGA MERVE, UZUN ALİ, SELEN ÇAĞLAYAN BURCU, AKSOYLU AHMET ERHAN
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Colorimetric and fluorimetric sensing of trace amount of Hg2+ in real samples by a new rhodamine B-based Schiff base probe: Smartphone, living cell applications and DFT calculation
Journal of Molecular Structure, Vol. 1321, Şubat 2025, s. 139687, ISSN: 0022-2860
EJDER NEBAHAT,KARAOĞLU KAAN,LEVENT ZEYNEP,ALÇAY YUSUF,ÖZDEMİR EMRE,YAVUZ ÖZGÜR,KAYA KEREM,KOPAR MERVE,TÜZÜN NURCAN,YILMAZ İSMAİL
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A new asymmetric phthalocyanine-based chemosensor for the detection of ultra trace amount of copper (II) ions in environmental samples: comprehensive complex characterization and DFT analysis
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Vol. 346, Şubat 2026, ISSN: 1386-1425
YAVUZ ÖZGÜR,YILDIZ BURAK,AHMETALİ EREM,ARIBUĞA HÜLYA,ERTUĞRAL UTKU,KURA BERKEHAN,TÜZÜN NURCAN,ŞENER MUHAMMET KASIM,YILMAZ İSMAİL
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Colorimetric and fluorimetric sensing of trace amount of Hg2+ in real samples by a new rhodamine B-based Schiff base probe: Smartphone, living cell applications and DFT calculation
Journal of Molecular Structure, Vol. 1321, Şubat 2025, ISSN: 0022-2860
EJDER NEBAHAT,KARAOĞLU KAAN,LEVENT ZEYNEP,ALÇAY YUSUF,ÖZDEMİR EMRE,YAVUZ ÖZGÜR,KAYA KEREM,KOPAR MERVE,TÜZÜN NURCAN,YILMAZ İSMAİL
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