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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Solvent effects on glycine I A supermolecule modeling of tautomerization via intramolecular proton transfer
Journal of Computational Chemistry, Vol. 24, No. 14, Kasım 2003, s. 1789-1802, ISSN: 0192-8651
BÜLENT BALTA, VİKTORYA AVİYENTE
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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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Paramagnetic characterization and dosimetric properties of Airfix drug and its ingredients (Montelukast sodium, Sorbitol): An EPR and DFT study
Radiation Physics and Chemistry, Vol. 195, Ocak 2022, ISSN: 0969-806X
ECE EMEL, TAŞDEMİR HALİL UĞUR, BIYIK RECEP, ÖZMEN AYHAN, SAYIN ÜLKÜ
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A new asymmetric phthalocyanine-based chemosensor for the detection of ultra trace amount of copper (II) ions in environmental samples: comprehensive complex characterization and DFT analysis
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Vol. 346, Şubat 2026, ISSN: 1386-1425
YAVUZ ÖZGÜR,YILDIZ BURAK,AHMETALİ EREM,ARIBUĞA HÜLYA,ERTUĞRAL UTKU,KURA BERKEHAN,TÜZÜN NURCAN,ŞENER MUHAMMET KASIM,YILMAZ İSMAİL
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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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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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A DFT study on interaction between Au, Re and AuRe surfaces with species involved in WGS reaction
Europacat 2017, 27 Ağustos 2017
UZUN ALİ,SELEN ÇAĞLAYAN BURCU,AKSOYLU AHMET ERHAN
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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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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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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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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,ÖZDEMİR EMRE,YAVUZ ÖZGÜR,KAYA KEREM,KOPAR MERVE,TÜZÜN NURCAN,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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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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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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Ammonia dynamics in magnesium ammine from DFT and neutron scattering
Energy Environ. Sci., Vol. 3, Mart 2010, s. 448
TEKİN ADEM,JENS HUMMELSHOJ,HJALTE JACOBSEN,DADİ SVEİNBJÖRNSSON,DİDİER BLANCHARD,JENS NORSKOV,TEJS VEGGE
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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,ÖZDEMİR EMRE,YAVUZ ÖZGÜR,KAYA KEREM,KOPAR MERVE,TÜZÜN NURCAN,YILMAZ İSMAİL
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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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