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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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, 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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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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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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DFT/RDFT filter bank approach for speckle reduction in SAR images
IGARSS 2005: IEEE International Geoscience and Remote Sensing Symposium, Vols 1-8, Proceedings, No. null, 25 Temmuz 2005, s. 3689-3692
SEZGİN M,ERER IŞIN,ERSOY OKAN
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A novel DFT/RDFT based subband representation for the fusion of remote sensing images
RAST 2005: Proceedings of the 2nd International Conference on Recent Advances in Space Technologies, No. null, 9 Haziran 2005, s. 611-616
SEZGİN M,ERER IŞIN,ERSOY OKAN
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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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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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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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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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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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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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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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A DFT study: ranking of antioxidant activity of various candidate molecules
UNEC Journal of Engineering and Applied Sciences, Vol. 1, No. 2, Mayıs 2022, s. 33-40, ISSN: 2790-2358
ENİSOĞLU ATALAY VİLDAN, ATİŞ İREM SUDE, ŞAHİN KORKUT FURKAN, KAŞIKÇI EMEL, KARAHAN MESUT
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Highly efficient novel unsymmetrical Zn and TiO naphthalenephthalocyanine and YD2 porphyrin dyes as co-sensitizers for DSSCs
OPTICAL MATERIALS, Vol. 152, Ocak 2024, s. 11, ISSN: 0925-3467
ÜNLÜ BURAK,SEVİM ALTUĞ MERT,ÇAKAR SONER,ÖZACAR MAHMUT,GÜL AHMET
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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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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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Synthesis reactions and DFT study of tropolone N N dimethylthiocarbamate
TETRAHEDRON, Vol. 71, Ağustos 2015, s. 5391-5398, ISSN: 0040-4020
ZAİM ÖMER, TÜZÜN NURCAN, ÇEVİK BÜŞRA, ÖZCAN HAFİZE, BOZ ESRA
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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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