Click reaction in the presence of acetic acid:A DFT study
FEN BİLİMLERİ ENSTİTÜSÜ, İSTANBUL TEKNİK ÜNİVERSİTESİ, 2014
GAMZE KARAGAÇTI
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Investigation of coupling reaction mechanisms of some TTF derivatives by DFT method
FEN BİLİMLERİ ENSTİTÜSÜ, İSTANBUL TEKNİK ÜNİVERSİTESİ, 2010
SONGÜL GÜRYEL
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Investigation of coupling reaction mechanisms of some TTF derivatives by DFT method
FEN BİLİMLERİ ENSTİTÜSÜ, İSTANBUL TEKNİK ÜNİVERSİTESİ, 2010
SONGÜL GÜRYEL
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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 BİLİMLERİ ENSTİTÜSÜ, İSTANBUL TEKNİK ÜNİVERSİTESİ, 2016
BELKIS EMANET
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Hydrogen adsorption on functionalized single wall carbon nanotubes: A DFT study
ENERJİ ENSTİTÜSÜ, İSTANBUL TEKNİK ÜNİVERSİTESİ, 2012
SÜHA ERHAN ÜNAL
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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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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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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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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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Metal Catalyzed Cyclization Reactions of Carbonyl Ylides Synthesis and DFT Study of Mechanisms
Organometallics, Vol. 26, No. 12, Haziran 2007, s. 2978-2985, ISSN: 0276-7333
ÇELİK MEHMET ALİ,YURTSEVER MİNE,TÜZÜN NURCAN,SEZER ÖZKAN,GÜNGÖR FÜSUN ŞEYMA,ANAÇ OLCAY
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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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Cyclopolymerization Reactions of Diallyl Monomers Exploring Electronic and Steric Effects Using DFT Reactivity Indices
The Journal of Physical Chemistry A, Vol. 113, No. 30, Temmuz 2009, s. 8704-8711, ISSN: 1089-5639
UĞUR İLKE,VLEESCHOUWER FREİJA DE,TÜZÜN NURCAN,AVİYENTE VİKTORYA,PAUL GEERLİNGS,SHUBİN LİU,PAUL W AYERS,PROFT FRANK DE
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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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Synthesis reactions and DFT study of tropolone N N dimethylthiocarbamate
Tetrahedron, Vol. 71, No. 33, Ağustos 2015, s. 5391-5398, ISSN: 00404020
ZAİM ÖMER,TÜZÜN NURCAN,BÜŞRA ÇEVİK,ÖZCAN HAFİZE,BOZ ESRA
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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, 2020, ISSN: 0022-2860
YILMAZ ZT,ODABAŞOĞLU YASİN,ŞENEL PELİN,ADIMCILAR VESELİNA,GÖLCÜ AYŞEGÜL,ÖZDEMİR AYŞE,ODABAŞOĞLU MUSTAFA,ERDOĞAN TANER
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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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Non-covalent functionalization of single walled carbon nanotubes with pyrene pendant polyester: A DFT supported study
Journal of Molecular Structure, Vol. 1209, Haziran 2020, s. 127943, ISSN: 0022-2860
OMURTAG ÖZGEN PINAR SİNEM, DURMAZ HAKAN, PARLAK CEMAL, ALVER ÖZGÜR, BAĞLAYAN ÖZGE
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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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Synthesis, Electrochemistry, DFT Calculations, Antimicrobial Properties and X-ray Crystal Structures of Some NH- and/or S- Substituted-1,4-quinones
ChemistrySelect, Vol. 3, No. 30, Ağustos 2018, s. 8615-8623, ISSN: 2365-6549
KACMAZ AYSECİK,ACAR ELİF TURKER,ATUN GULTEN,KAYA KEREM,SİGİRCİ BELGİ DİREN,BAGCİGİL FUNDA
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Synthesis, characterization, DFT studies of piperazine derivatives and its Ni(II), Cu(II) complexes as antimicrobial agents and glutathione reductase inhibitors
JOURNAL OF MOLECULAR STRUCTURE, Vol. 1171, Kasım 2018, s. 834-842, ISSN: 0022-2860
ÖZBEK NESLİHAN,MAMAŞ SERHAT,ERDOĞDU TÜRKAN,ALYAR SALİHA,KAYA KEREM,KARACAN NURCAN
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