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
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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
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Hydrogen adsorption on functionalized single wall carbon nanotubes: A DFT study
Enerji Enstitüsü, İstanbul Teknik Üniversitesi, 2012
SÜHA ERHAN ÜNAL
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Investigation of coupling reaction mechanisms of some TTF derivatives by DFT method
Fen Bilimleri Enstitüsü, İstanbul Teknik Üniversitesi, 2010
SONGÜL GÜRYEL
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Paramagnetic characterization and dosimetric properties of Airfix drug and its ingredients (Montelukast sodium, Sorbitol): An EPR and DFT study
Radiation Physics and Chemistry, Vol. 195, Ocak 2022, ISSN: 0969-806X
ECE EMEL, TAŞDEMİR HALİL UĞUR, BIYIK RECEP, ÖZMEN AYHAN, SAYIN ÜLKÜ
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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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A DFT STUDY ON THE MODEL DEACETYLATION REACTION MECHANISM OF O ACETYLPEPTIDOGLYCAN ESTERASE
10th Congress on Electronic Structure: Principles and Applications,, 28 Ocak 2016
AKSAKAL ZEYNEP,DEMİRKİZAK MUAMMER MELİN,TÜZÜN NURCAN,SUNGUR FETHİYE AYLİN
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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 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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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
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DFT Study on the His-Tag Binding Affinity of Metal Ions in Modeled Hexacationic Metal Complexes
ACS Omega, Vol. 9, Kasım 2024, ISSN: 2470-1343
YILDIZ ALPARSLAN NUMAN,KASAPBAŞI EMİNE ESRA,YURTSEVER ZEYNEP,YURTSEVER MİNE
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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
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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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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
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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
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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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Colorimetric and fluorimetric sensing of trace amount of Hg2+ in real samples by a new rhodamine B-based Schiff base probe: Smartphone, living cell applications and DFT calculation
Journal of Molecular Structure, Vol. 1321, Şubat 2025, ISSN: 0022-2860
EJDER NEBAHAT,KARAOĞLU KAAN,LEVENT ZEYNEP,ALÇAY YUSUF,ÖZDEMİR EMRE,YAVUZ ÖZGÜR,KAYA KEREM,KOPAR MERVE,TÜZÜN NURCAN,YILMAZ İSMAİL
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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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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
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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
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