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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Star-Shaped WS2 Monolayers with Twin Grain Boundaries Promoted by Molybdenum Atoms
2021 MRS Fall Meeting and Exhibit, 27 Kasım 2022
ZHANG NA, SANCHEZ DAVİD, NAYİR NADİRE, ZHANG TİANYİ, ZHOU DA, LİU MİNGZU, YU ZHUOHANG, TERRONES MAURİCİO, VAN DUİN ADRİ, WANG KE, Jİ YANZHOU
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Investigation of supramolecular interaction of quercetin with N,N-dimethylamine-functionalized p-sulfonated calix[4,8]arenes using molecular modeling and their in vitro cytotoxic response towards selected cancer cells
NEW JOURNAL OF CHEMISTRY, Vol. 45, No. 39, Ekim 2021, s. 18443-18452, ISSN: 1144-0546
MEHMET OĞUZ, DOĞAN BERNA, DURDAĞI SERDAR, KARAKURT SERDAR, YILMAZ MUSTAFA
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Interactions of TMGa and NH3 with defects in graphene: Towards a mechanistic understanding of 2D GaNx formation
8th International Conference on Clean and Green Energy (ICCGE 2019, 13 Şubat 2019
BANSAL ANUSHKA, NAYİR NADİRE, RAJAPBOUR SİAVASH, HUET BENJAMİN, VAN DUİN ADRİ, JOAN REDWİNG
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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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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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Theoretical Investigation of W(CO)6 and CO Selenization Process
Sakarya University Journal of Science, Vol. 26, No. 2, Nisan 2022, s. 283-291, ISSN: 1301-4048
NAYİR NADİRE
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Toward a Mechanistic Understanding of the Formation of 2D-GaNx in Epitaxial Graphene
American Chemical Society (ACS) Nano, Aralık 2022, ISSN: 1936-0851
ANUSHKA BANSAL, NAYİR NADİRE, WANG KE, PATRİCK RONDOMANSKİ PATRİCK, KUMARİ SHALİNİ, SUBRAMANİAN SHRUTİ, VAN DUİN ADRİ, JOSHUA ROBİNSON, JOAN REDWİNG
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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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Volta Potential Evolution of Intermetallics in Aluminum Alloy Microstructure Under Thin Aqueous Adlayers: A combined DFT and Experimental Study
Topics in Catalysis, Vol. 61, Ocak 2018, ISSN: 1022-5528
ÖRNEK CEM, LİU MİN, PAN JİNSHAN, JİN Y., LEYGRAF CHRİSTOFER
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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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Paramagnetic characterization and dosimetric properties of Airfix drug and its ingredients (Montelukast sodium, Sorbitol): An EPR and DFT study
Radiation Physics and Chemistry, Vol. 195, Ocak 2022, ISSN: 0969-806X
ECE EMEL, TAŞDEMİR HALİL UĞUR, BIYIK RECEP, ÖZMEN AYHAN, SAYIN ÜLKÜ
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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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Efficient Computation of DFT Commuting Matrices by a Closed Form Infinite Order Approximation to the Second Differentiation Matrix
Signal Processing, Vol. 91, No. 3, Mart 2011, s. 582-589
SERBES AHMET,DURAK ATA LÜTFİYE
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The discrete fractional Fourier transform based on the DFT matrix
Signal Processing, Vol. 91, No. 3, Mart 2011, s. 571-581, ISSN: 01651684
SERBES AHMET,DURAK ATA LÜTFİYE
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A novel 3-((5-methylpyridin-2-yl)amino)isobenzofuran-1(3H)-one: Molecular structure describe, X-ray diffractions and DFT calculations, antioxidant activity, DNA binding and molecular docking studies
Journal of Molecular Structure, Vol. 1205, Nisan 2020, s. 127585, ISSN: 0022-2860
YILMAZ ZEYNEP TANRIKULU,ODABAŞOĞLU HAKKI YASİN,ŞENEL PELİN,ADIMCILAR VESELİNA,ERDOĞAN TANER,ÖZDEMİR AYŞE,GÖLCÜ AYŞEGÜL,ODABAŞOĞLU MUSTAFA
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A DFT STUDY ON THE MODEL DEACETYLATION REACTION MECHANISM OF O ACETYLPEPTIDOGLYCAN ESTERASE
10th Congress on Electronic Structure: Principles and Applications,, 28 Ocak 2016
AKSAKAL ZEYNEP,DEMİRKİZAK MUAMMER MELİN,TÜZÜN NURCAN,SUNGUR FETHİYE AYLİN
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QUANTUM CLUSTER APPROACH TO DEACETYLATION REACTION MECHANISMOF OACETYLPEPTIDOGLYCAN ESTERASE,
11EuCOTCC (11 European Conference on Theoretical and Computational Chemistry, 4 Eylül 2017
AKSAKAL ZEYNEP,TATAROĞLU MUAMMER MELİN,SUNGUR FETHİYE AYLİN,TÜZÜN NURCAN
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A computational insight into cyclopropenone activated dehydration reaction of alcohols
JOURNAL OF MOLECULAR GRAPHICS MODELLING, Vol. 77, No. null, Eylül 2017, s. 106-114, ISSN: 1093-3263
TATAROGLU M. M.,SUNGUR FETHİYE AYLİN
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Ammonia dynamics in magnesium ammine from DFT and neutron scattering
Energy Environ. Sci., Vol. 3, Mart 2010, s. 448
TEKİN ADEM,JENS HUMMELSHOJ,HJALTE JACOBSEN,DADİ SVEİNBJÖRNSSON,DİDİER BLANCHARD,JENS NORSKOV,TEJS VEGGE
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