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TATAROGLU M. M.,SUNGUR FETHİYE AYLİN
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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
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YILMAZ ZEYNEP TANRIKULU,ODABAŞOĞLU HAKKI YASİN,ŞENEL PELİN,ADIMCILAR VESELİNA,ERDOĞAN TANER,ÖZDEMİR AYŞE,GÖLCÜ AYŞEGÜL,ODABAŞOĞLU MUSTAFA
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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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Journal of Molecular Structure, Vol. 1106, Şubat 2016, s. 331-342, ISSN: 00222860
EMİRİK MUSTAFA,KARAOĞLU KAAN,SERBEST KERİM,MENTEŞE EMRE,YILMAZ İSMAİL
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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
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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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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
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EJDER NEBAHAT,KARAOĞLU KAAN,LEVENT ZEYNEP,ALÇAY YUSUF,ÖZDEMİR EMRE,YAVUZ ÖZGÜR,KAYA KEREM,KOPAR MERVE,TÜZÜN NURCAN,YILMAZ İSMAİL
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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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Cyclopolymerization Reactions of Diallyl Monomers Exploring Electronic and Steric Effects Using DFT Reactivity Indices
The Journal of Physical Chemistry A, Vol. 113, No. 30, Temmuz 2009, s. 8704-8711, ISSN: 1089-5639
UĞUR İLKE,VLEESCHOUWER FREİJA DE,TÜZÜN NURCAN,AVİYENTE VİKTORYA,PAUL GEERLİNGS,SHUBİN LİU,PAUL W AYERS,PROFT FRANK DE
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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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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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Copper-Induced Phase Transitions in NaMn1-xCuxO2: Structural Insights from Operando XAS, DFT Calculations, and Electrochemical Evaluation Using Laurus Nobilis-Derived Hard Carbon
ADVANCED SUSTAINABLE SYSTEMS, Eylül 2025, s. 23, ISSN: 2366-7486
WHBA RAWDAH,DOĞAN EBRU,HARFOUCHE MESSAOUD,ÖZTÜRK ZEYNEP REYHAN,FARHAN AHLAM,İPEK SEMRAN,CÖRÜT SÜMEYYE,KARTAL RUKİYYE,KARTA MESUT,DEPCİ TOLGA,ŞAHİNBAY SEVDA,ALTIN SERDAR
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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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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, 2020, ISSN: 0022-2860
YILMAZ ZT,ODABAŞOĞLU YASİN,ŞENEL PELİN,ADIMCILAR VESELİNA,GÖLCÜ AYŞEGÜL,ÖZDEMİR AYŞE,ODABAŞOĞLU MUSTAFA,ERDOĞAN TANER
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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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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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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
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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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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
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