Challenging the frontiers of superparamagnetism through strain engineering: DFT investigation and co-precipitation synthesis of large aggregated Fe3O4 (magnetite) powder
Elsevier BV, Vol. 968, Aralık 2023, ISSN: 0925-8388
SARAÇOĞLU MERT, MANSOOR MUBASHİR, BAKIRDÖVEN UTKU, ARPALI HANDENUR, GEZİCİ UTKU ORÇUN, TİMUR SERVET İBRAHİM
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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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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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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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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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DFT Study on the His-Tag Binding Affinity of Metal Ions in Modeled Hexacationic Metal Complexes
ACS Omega, Vol. 9, Kasım 2024, ISSN: 2470-1343
YILDIZ ALPARSLAN NUMAN,KASAPBAŞI EMİNE ESRA,YURTSEVER ZEYNEP,YURTSEVER MİNE
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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 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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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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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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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, 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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