Stereoselective propagation in free radical polymerization of acrylamides A DFT study
Journal of Molecular Graphics and Modelling, Vol. 49, Nisan 2014, s. 55-67, ISSN: 10933263
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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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Energy transfer processes in 1,3-bis(pyridyl) iminoisoindoline based donor–acceptor system – Synthesis, photophysics, and TD-DFT study
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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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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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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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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 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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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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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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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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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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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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Reaction mechanism of ruthenium catalyzed azide alkyne cycloaddition reaction A DFT study
Journal of Organometallic Chemistry, Vol. 724, Ocak 2013, s. 167-176, ISSN: 0022328X
BOZ ESRA,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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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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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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