Shape, size and functionalization dependent raman characterization of graphene quantum dots by DFT method
Lisansüstü Eğitim Enstitüsü, İstanbul Teknik Üniversitesi, 2024
ENES BERKAY GÖNEN
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Investigation of coupling reaction mechanisms of some TTF derivatives by DFT method
Fen Bilimleri Enstitüsü, İstanbul Teknik Üniversitesi, 2010
SONGÜL GÜRYEL
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Hydrogen adsorption on functionalized single wall carbon nanotubes: A DFT study
Enerji Enstitüsü, İstanbul Teknik Üniversitesi, 2012
SÜHA ERHAN ÜNAL
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DFT study of the optical properties of triptycene (T)-urea (U) containing compounds and their complexes for targeted analyte sensing
Fen Bilimleri Enstitüsü, İstanbul Teknik Üniversitesi, 2016
BELKIS EMANET
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Stereoselective propagation in free radical polymerization of acrylamides A DFT study
Journal of Molecular Graphics and Modelling, Vol. 49, Nisan 2014, s. 55-67, ISSN: 10933263
GÜLRU KAYIK,TÜZÜN NURCAN
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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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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, s. 110215, ISSN: 1387-7003
GÜMRÜKÇÜ SELİN, KATIRCI RAMAZAN, ÖZÇEŞMECİ MUKADDES, ÜNLÜ CANER, ÖZÇEŞMECİ İBRAHİM
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Experimental and DFT Study on Electronic and Optical Properties of Donor-Acceptor Type Copolymers Containing Thiophene (T), Thienothiophene (TT), Dithienothiophene (DTT) and Bithiazole (NBT) Units
” İstanbul International Organic Electronic Symposium, 2 Aralık 2019
SÜTAY BERKAY,YURTSEVER MİNE,CİCİGÜL HAKAN,TİFTİKÇİ ESRA,TOPAL SEBAHAT,ÖZTÜRK TURAN,SEZER ESMA,USTAMEHMETOĞLU BELKIZ
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Investigation of Role of Fluorine Atoms in the Activity of Well-Known Fluorine Containing Marketed Drugs: DFT and Docking Studies
7th International BAU Drug Design Congress, 19 Aralık 2019
AYDIN YILDIZ,İŞ YUSUF SERHAT,DURDAĞI SERDAR,YURTSEVER MİNE
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Experimental and DFT Study on Electronic and Optical Properties of Donor-Acceptor Type Copolymers Containing Thiophene (T), Thienothiophene (TT), Dithienothiophene (DTT) and Bithiazole (NBT) Units
Istanbul International Organic Electronic Symposium, İstanbul/TÜRKİYE, 2 Aralık 2019
YURTSEVER MİNE, CİCİGÜL HAKAN, SÜTAY BERKAY, TİFTİKÇİ ESRA, TOPAL SEBAHAT, ÖZTÜRK TURAN, SEZER ESMA, USTAMEHMETOĞLU BELKIS
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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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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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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, Kasım 2022, ISSN: 2168-0485
YILDIRIM EROL,ALTAY PELİN,GÜRSOY NEVİN ÇİĞDEM,J. HAUSER PETER,EL-SHAFEİ AHMED
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N -((5-chloropyridin-2-yl)carbamothioyl)furan-2-carboxamide and its Co(II), Ni(II) and Cu(II) complexes: Synthesis, characterization, DFT computations, thermal decomposition, antioxidant and antitumor activity
JOURNAL OF MOLECULAR STRUCTURE, Vol. 1129, Şubat 2017, s. 263-270, ISSN: 0022-2860
YEŞİLKAYNAK TUNCAY,ÖZPINAR CELAL,EMEN FATİH MEHMET,ATEŞ BURHAN,KAYA KEREM
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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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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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Reaction mechanism of ruthenium catalyzed azide alkyne cycloaddition reaction A DFT study
Journal of Organometallic Chemistry, Vol. 724, Ocak 2013, s. 167-176, ISSN: 0022328X
BOZ ESRA,TÜZÜN NURCAN
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Experimental and DFT Study on Electronic and Optical Properties of Donor-Acceptor Type Copolymers Containing Thiophene (T), Thienothiophene (TT), Dithienothiophene (DTT) and Bithiazole (NBT) Units
” İstanbul International Organic Electronic Symposium, 2 Aralık 2019
SÜTAY BERKAY,YURTSEVER MİNE,CİCİGÜL HAKAN,TİFTİKÇİ ESRA,TOPAL SEBAHAT,ÖZTÜRK TURAN,SEZER ESMA,USTAMEHMETOĞLU BELKIZ
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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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A DFT Study on Electronic and Optical Properties of BTI-based Oligomers
International Symposium on Chemistry via Computation, İstanbul/TÜRKİYE, 30 Ekim 2017
ALİM ÇİSİL,SÜTAY BERKAY,ONARAN GÜLŞAH,YURTSEVER MİNE
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