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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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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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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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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Removal of oxytetracycline by graphene oxide and Boron-doped reduced graphene oxide: A combined density function Theory, molecular dynamics simulation and experimental study
FLATCHEM, Vol. 27, Ocak 2021, ISSN: 2452-2627
EL HADKİ AHMED, ALTUNTAŞ KÜBRA, EL HADKİ HAMZA, ÜSTÜNDAĞ CEM BÜLENT, KABBAJ OUM KETUM, DACHOUR ABDELMALEK, ZRİNEH ABDALLAH, DEBİK EYÜP
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High throughput DFT calculations and UHS sintering on high entropy diboride ceramics
INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS SCIENCE & ENGINEERING AND HIGH TECH DEVICE APPLICATIONS (ICMATSE22), 27 Kasım 2022
MANSOOR MUBASHİR, CZELEJ KAMİL, ER ZUHAL
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Non-peripherally substituted metallophthalocyanines catalyzed diastereoselective carbonyl-ylide reactions: Synthesis and DFT calculations
Tetrahedron, Vol. 80, Ocak 2021, ISSN: 0040-4020
GÜNGÖR FÜSUN ŞEYMA, SESALAN B ŞEBNEM, ÖZKILIÇ YILMAZ, TÜZÜN NURCAN
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Regioselectivity Patterns in Radical Cyclization of Diosphenol Derivatives with Different Ring Size: A Combined Experimental and DFT Study
ChemistrySelect, Vol. 6, Ocak 2021, ISSN: 2365-6549
BOZ ESRA, ÖZCAN HAFİZE, ZAİM ÖMER, TÜZÜN NURCAN
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Non-peripherally substituted metallophthalocyanines catalyzed diastereoselective carbonyl-ylide reactions: Synthesis and DFT calculations
TETRAHEDRON, Vol. 80, Ocak 2021, ISSN: 0040-4020
GÜNGÖR FÜSUN ŞEYMA, SESALAN BEHİCE ŞEBNEM, ŞENYURT TÜZÜN NURCAN, ÖZKILIÇ YILMAZ, ANAÇ OLCAY
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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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The role of diisocyanate and soft segment on the intersegmental interactions in urethane and urea based segmented copolymers A DFT study
Computational and Theoretical Chemistry, Vol. 1035, Mayıs 2014, s. 28-38, ISSN: 2210271X
YILDIRIM EROL,YURTSEVER MİNE
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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 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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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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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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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 DFT Study on the Stereoselective Propagation in Free Radical Polymerization of Acrylamides
46. IUPAC World Congress, 17 Temmuz 2016
TÜZÜN NURCAN,KAYIK GÜLRU
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Solvent effects on glycine II Water assisted tautomerization
Journal of Computational Chemistry, Vol. 25, No. 5, Nisan 2004, s. 690-703, ISSN: 0192-8651
BALTA BÜLENT, AVİYENTE VİKTORYA
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