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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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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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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Global geometry optimization of small silicon clusters with empirical potentials and at the DFT level
Phys. Chem. Chem. Phys., Vol. 6, Ocak 2004, s. 503
TEKİN ADEM,BERND HARTKE
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QUANTUM CLUSTER APPROACH TO DEACETYLATION REACTION MECHANISMOF OACETYLPEPTIDOGLYCAN ESTERASE,
11EuCOTCC (11 European Conference on Theoretical and Computational Chemistry, 4 Eylül 2017
AKSAKAL ZEYNEP,TATAROĞLU MUAMMER MELİN,SUNGUR FETHİYE AYLİN,TÜZÜN NURCAN
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A DFT Study on the Stereoselective Propagation in Free Radical Polymerization of Acrylamides
46. IUPAC World Congress, 17 Temmuz 2016
TÜZÜN NURCAN,KAYIK GÜLRU
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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
AYDIN YILDIZ,İŞ YUSUF SERHAT,DURDAĞI SERDAR,YURTSEVER MİNE
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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
AYDIN YILDIZ,İŞ YUSUF SERHAT,DURDAĞI SERDAR,YURTSEVER MİNE
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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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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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