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
|
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
|
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
|
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
|
The role of diisocyanate and soft segment on the intersegmental interactions in urethane and urea based segmented copolymers A DFT study
Computational and Theoretical Chemistry, Vol. 1035, Mayıs 2014, s. 28-38, ISSN: 2210271X
YILDIRIM EROL,YURTSEVER MİNE
|
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
|
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
|
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
|
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
|
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
|
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
|
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
|
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
|
Solvent effects on glycine II Water assisted tautomerization
Journal of Computational Chemistry, Vol. 25, No. 5, Nisan 2004, s. 690-703, ISSN: 0192-8651
BALTA BÜLENT, AVİYENTE VİKTORYA
|
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
|
Structures and reactivity of gaseous glycine and its derivatives
International Journal of Mass Spectrometry, Vol. 201, No. 1-3, Temmuz 2000, s. 69-85, ISSN: 13873806
BALTA BÜLENT, BASMA MARAL, AVİYENTE VİKTORYA, ZHU CHUANBAO, LİFSHİTZB CHAVA
|
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
|
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
|
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
|
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
|