Structural dependence of protein binding and vibrational spectra of some odor molecules: Molecular docking and TD-DFT study
Lisansüstü Eğitim Enstitüsü, İstanbul Teknik Üniversitesi, 2023
AYSUN SIRMA
|
Investigation of coupling reaction mechanisms of some TTF derivatives by DFT method
Fen Bilimleri Enstitüsü, İstanbul Teknik Üniversitesi, 2010
SONGÜL GÜRYEL
|
DFT study of the optical properties of triptycene (T)-urea (U) containing compounds and their complexes for targeted analyte sensing
Fen Bilimleri Enstitüsü, İstanbul Teknik Üniversitesi, 2016
BELKIS EMANET
|
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
|
Voltammetric quantification, spectroscopic, and DFT studies on the binding of the antineoplastic drug Azacitidine with DNA
Journal of Pharmaceutical and Biomedical Analysis, Vol. 237, No. 115746, Ocak 2024, ISSN: 0731-7085
ŞENEL PELİN, AGAR SOYKAN, YURTSEVER MİNE, GÖLCÜ AYŞEGÜL
|
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
|
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
|
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
|
Synthesis, Electrochemistry, DFT Calculations, Antimicrobial Properties and X-ray Crystal Structures of Some NH- and/or S- Substituted-1,4-quinones
ChemistrySelect, Vol. 3, No. 30, Ağustos 2018, s. 8615-8623, ISSN: 2365-6549
KACMAZ AYSECİK,ACAR ELİF TURKER,ATUN GULTEN,KAYA KEREM,SİGİRCİ BELGİ DİREN,BAGCİGİL FUNDA
|
Synthesis, characterization, DFT studies of piperazine derivatives and its Ni(II), Cu(II) complexes as antimicrobial agents and glutathione reductase inhibitors
JOURNAL OF MOLECULAR STRUCTURE, Vol. 1171, Kasım 2018, s. 834-842, ISSN: 0022-2860
ÖZBEK NESLİHAN,MAMAŞ SERHAT,ERDOĞDU TÜRKAN,ALYAR SALİHA,KAYA KEREM,KARACAN NURCAN
|
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
|
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
|
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
|
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
|
A novel DFT/RDFT based subband representation for the fusion of remote sensing images
RAST 2005: Proceedings of the 2nd International Conference on Recent Advances in Space Technologies, No. null, 9 Haziran 2005, s. 611-616
SEZGİN M,ERER IŞIN,ERSOY OKAN
|
Non-covalent functionalization of single walled carbon nanotubes with pyrene pendant polyester: A DFT supported study
Journal of Molecular Structure, Vol. 1209, Haziran 2020, s. 127943, ISSN: 0022-2860
OMURTAG ÖZGEN PINAR SİNEM, DURMAZ HAKAN, PARLAK CEMAL, ALVER ÖZGÜR, BAĞLAYAN ÖZGE
|
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
|
Metal catalyzed cyclization reactions of carbonyl ylides Synthesis and DFT study of mechanisms
Organometallics, Vol. 26, No. 12, Mayıs 2007, s. 2978-2985, ISSN: 0276-7333
ÇELİK MEHMET ALİ,YURTSEVER MİNE,TÜZÜN NURCAN,KIŞKAN FÜSUN ŞEYMA,SEZER ÖZKAN,ANAÇ OLCAY
|
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
|