A DFT Study on the Mechanism of Cyclopropanation via Cu acac Catalyzed Diazo Ester Decomposition
Organometallics, Vol. 27, No. 18, Eylül 2008, s. 4600-4610, ISSN: 0276-7333
ÖZEN CİHAN,TÜZÜN NURCAN
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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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Star-Shaped WS2 Monolayers with Twin Grain Boundaries Promoted by Molybdenum Atoms
2021 MRS Fall Meeting and Exhibit, 27 Kasım 2022
ZHANG NA, SANCHEZ DAVİD, NAYİR NADİRE, ZHANG TİANYİ, ZHOU DA, LİU MİNGZU, YU ZHUOHANG, TERRONES MAURİCİO, VAN DUİN ADRİ, WANG KE, Jİ YANZHOU
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Investigation of supramolecular interaction of quercetin with N,N-dimethylamine-functionalized p-sulfonated calix[4,8]arenes using molecular modeling and their in vitro cytotoxic response towards selected cancer cells
NEW JOURNAL OF CHEMISTRY, Vol. 45, No. 39, Ekim 2021, s. 18443-18452, ISSN: 1144-0546
MEHMET OĞUZ, DOĞAN BERNA, DURDAĞI SERDAR, KARAKURT SERDAR, YILMAZ MUSTAFA
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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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Interactions of TMGa and NH3 with defects in graphene: Towards a mechanistic understanding of 2D GaNx formation
8th International Conference on Clean and Green Energy (ICCGE 2019, 13 Şubat 2019
BANSAL ANUSHKA, NAYİR NADİRE, RAJAPBOUR SİAVASH, HUET BENJAMİN, VAN DUİN ADRİ, JOAN REDWİNG
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Theoretical Investigation of W(CO)6 and CO Selenization Process
Sakarya University Journal of Science, Vol. 26, No. 2, Nisan 2022, s. 283-291, ISSN: 1301-4048
NAYİR NADİRE
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Toward a Mechanistic Understanding of the Formation of 2D-GaNx in Epitaxial Graphene
American Chemical Society (ACS) Nano, Aralık 2022, ISSN: 1936-0851
ANUSHKA BANSAL, NAYİR NADİRE, WANG KE, PATRİCK RONDOMANSKİ PATRİCK, KUMARİ SHALİNİ, SUBRAMANİAN SHRUTİ, VAN DUİN ADRİ, JOSHUA ROBİNSON, JOAN REDWİNG
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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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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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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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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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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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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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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-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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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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