The mechanism of copper-catalyzed cyclopropanation reaction: A DFT study
FEN BİLİMLERİ ENSTİTÜSÜ, İSTANBUL TEKNİK ÜNİVERSİTESİ, 2007
CİHAN ÖZEN
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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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Hydrogen adsorption on functionalized single wall carbon nanotubes: A DFT study
ENERJİ ENSTİTÜSÜ, İSTANBUL TEKNİK ÜNİVERSİTESİ, 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 BİLİMLERİ ENSTİTÜSÜ, İSTANBUL TEKNİK ÜNİVERSİTESİ, 2016
BELKIS EMANET
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Structural dependence of protein binding and vibrational spectra of some odor molecules: Molecular docking and TD-DFT study
LİSANSÜSTÜ EĞİTİM ENSTİTÜSÜ, İSTANBUL TEKNİK ÜNİVERSİTESİ, 2023
AYSUN SIRMA
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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
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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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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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Towards designing new high-mobility polymeric semiconductors: DFT Investigation of electronic and optical properties of BTI-based monomers and dimers
13th International Conference on Organic Electronics (ICOE-2017), St. Petersburg/RUSYA FEDERASYONU, 4 Haziran 2017
SÜTAY BERKAY,ONARAN GÜLŞAH,ALİM ÇİSİL,YURTSEVER MİNE
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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,OZDEMİR EMRE,YAVUZ ÖZGÜR,KAYA KEREM,KOPAR MERVE,TÜZÜN NURCAN,YILMAZ İSMAİL
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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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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, s. 139687, 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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Copper-Induced Phase Transitions in NaMn1-xCuxO2: Structural Insights from Operando XAS, DFT Calculations, and Electrochemical Evaluation Using Laurus Nobilis-Derived Hard Carbon
ADVANCED SUSTAINABLE SYSTEMS, Eylül 2025, s. 23, ISSN: 2366-7486
WHBA RAWDAH,DOĞAN EBRU,HARFOUCHE MESSAOUD,ÖZTÜRK ZEYNEP REYHAN,FARHAN AHLAM,İPEK SEMRAN,CÖRÜT SÜMEYYE,KARTAL RUKİYYE,KARTA MESUT,DEPCİ TOLGA,ŞAHİNBAY SEVDA,ALTIN SERDAR
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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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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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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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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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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 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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