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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Ferrocenyl substituted dinuclear Cu II complex Synthesis spectroscopy electrochemistry DFT calculations and catecholase activity
Journal of Molecular Structure, Vol. 1106, Şubat 2016, s. 331-342, ISSN: 00222860
EMİRİK MUSTAFA,KARAOĞLU KAAN,SERBEST KERİM,MENTEŞE EMRE,YILMAZ İSMAİL
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Theoretical investigation of thione-thiol tautomerism, intermolecular double proton transfer reaction and hydrogen bonding interactions in 4-ethyl-5-(2-hydroxyphenyl)-2H-1,2,4-triazole-3(4H)-thione
COMPUTATIONAL AND THEORETICAL CHEMISTRY, Vol. 1025, No. null, Aralık 2013, s. 35-45, ISSN: 2210-271X
ÖZDEMİR NAMIK,TÜRKPENÇE DENİZ
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A Density Functional Study of the Conformational Behaviour of Diglycine and Protonated Diglycine in Gas Phase
DFT 99, 6 Eylül 1999
B. BALTA, M. BASMA, V. AVİYENTE, C. ZHU, C. LİFSHİTZ
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Non-peripherally substituted metallophthalocyanines catalyzed diastereoselective carbonyl-ylide reactions: Synthesis and DFT calculations
Tetrahedron, Vol. 80, Ocak 2021, s. 131892, ISSN: 0040-4020
KIŞKAN FÜSUN ŞEYMA, SESALAN BEHİCE ŞEBNEM, TÜZÜN NURCAN, ÖZKILIÇ YILMAZ, ANAÇ OLCAY
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Metal catalyzed cyclization reactions of carbonyl ylides Synthesis and DFT study of mechanisms
Organometallics, Vol. 26, No. 12, Mayıs 2007, s. 2978-2985, ISSN: 0276-7333
ÇELİK MEHMET ALİ,YURTSEVER MİNE,TÜZÜN NURCAN,KIŞKAN FÜSUN ŞEYMA,SEZER ÖZKAN,ANAÇ OLCAY
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A DFT Study on the Mechanism of Cyclopropanation via Cu acac Catalyzed Diazo Ester Decomposition
Organometallics, Vol. 27, No. 18, Eylül 2008, s. 4600-4610, ISSN: 0276-7333
ÖZEN CİHAN,TÜZÜN NURCAN
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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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Synthesis, characterization, third-order non-linear optical properties and DFT study of the novel SUBO bridged ball-type metallophthalocyanines
Dalton Transactions, Vol. 49, Ocak 2020, s. 17263-17273, ISSN: 1477-9226
ALİZADEH SHABNAM,KÖSOĞLU GÜLŞEN,ERDEM MURAT,AÇAR SELÇUKİ NURSEL,ÖZER METİN,SALİH BEKİR,BEKAROĞLU ÖZER
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Determination of Crystal Structure of Colemanite Using Density Functional Theory DFT
6th INTERNATIONAL CONFERENCE ON COMPUTER APPLICATIONS IN THE MINERALS INDUSTRIES, İstanbul/TUVALU, 5 Ekim 2016
ŞENOL ARSLAN DİLEK,DRELİCH JW,ÖZDEMİR ORHAN,ÇELİK MEHMET SABRİ,ODEGARD GM
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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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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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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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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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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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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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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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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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