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Computational Screening of Dual Cation Metal Ammine Borohydrides by Density Functional Theory
Journal of Physical Chemistry C, Haziran 2016, ISSN: 1932-7447
EMDADİ ARASH,DEMİR SAMET,KIŞLAK YUSUF,TEKİN ADEM
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Computational screening of hydrogen storage materials with density functional theory
EMN Meeting on Computation and Theory Energy Materials Nanotechnology, 10 Ekim 2016
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Investigation of electronic and optical properties of thiophene containing oligomers by density functional theory
Fen Bilimleri Enstitüsü, İstanbul Teknik Üniversitesi, 2017
HAKAN CİCİGÜL
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Interaction of curcumin in a drug delivery system including a composite with poly(lactic-co-glycolic acid) and montmorillonite: a density functional theory and molecular dynamics study
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KARATAŞ DENİZ,TEKİN ADEM,BAHADORİ FATEMEH,ÇELİK MEHMET SABRİ
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Density functional theory based screening of ternary alkali transition metal borohydrides A computational material design project
The Journal of Chemical Physics, Vol. 131, No. 1, Ocak 2009, s. 14101, ISSN: 00219606
J. S. HUMMELSHØJ, D. D. LANDİS, J. VOSS, T. JİANG, A. TEKİN, N. BORK, ...
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How accurate is the density functional theory combined with symmetry adapted perturbation theory approach for CH and interactions A comparison to supermolecular calculations for the acetylene benzene dimer
Phys. Chem. Chem. Phys., Vol. 9, Şubat 2007, s. 1680
TEKİN ADEM,GEORG JANSEN
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The Interaction of Protonated Diglycine with Ammonia A Density Functional Theory Model Study
The Journal of Physical Chemistry A, Vol. 104, No. 30, Ağustos 2000, s. 7061-7067, ISSN: 1089-5639
ZHU CHUANBAO, BALTA BÜLENT, AVİYENTE VİKTORYA, LİFSHİTZ CHAVA
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The Role of Solvents in the Reductive Amination of Aldehydes
Hands-on Workshop Density-Functional Theory and Beyond: Accuracy, Efficiency and Reproducibility in Computational Materials Science, 31 Ağustos 2017
BOZ ESRA,TÜZÜN NURCAN,STEİN MATTHİAS
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Synthesis, characterization, anti-inflammatory evaluation, molecular docking and density functional theory studies of metal based drug candidate molecules of tenoxicam
Results in Chemistry, Vol. 3, Ocak 2021, ISSN: 2211-7156
MUSLU HARUN, KALAYCIOĞLU ZEYNEP, ERDOĞAN TANER, GÖLCÜ AYŞEGÜL, BERKER FATMA BEDİA
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Density functional theory computation of organic compound penetration into sepiolite tunnels
Clays and Clay Minerals, Vol. 65, No. 1, Şubat 2017, s. 1-13, ISSN: 0009-8604
KARATAŞ DENİZ,TEKİN ADEM,ÇELİK MEHMET SABRİ
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Detection of Axitinib Using Multiwalled Carbon Nanotube-Fe2O3/Chitosan Nanocomposite-Based Electrochemical Sensor and Modeling with Density Functional Theory
ACS Omega, Vol. 7, Eylül 2022, ISSN: 2470-1343
CETİNKAYA AHMET, KAYA SARİYE İREM, ŞENEL PELİN, ÇİNİ NEJLA, BELLUR ATİCİ ESEN, ÖZKAN SİBEL AYŞIL, YURTSEVER MİNE, GÖLCÜ AYŞEGÜL
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Detection of Axitinib Using Multiwalled Carbon Nanotube-Fe2O3/Chitosan Nanocomposite-Based Electrochemical Sensor and Modeling with Density Functional Theory
American Chemical Society (ACS), Vol. 7, Eylül 2022, ISSN: 2470-1343
ÇETİNKAYA AHMET, KAYA SARİYE İREM, ŞENEL PELİN, ÇİNİ NEJLA, ATICI ESEN BELLUR, ÖZKAN SİBEL, YURTSEVER MİNE, GÖLCÜ AYŞEGÜL
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Synthesis, characterization, anti-inflammatory evaluation, molecular docking and density functional theory studies of metal based drug candidate molecules of tenoxicam
Results in Chemistry, Vol. 3, Ocak 2021, ISSN: 2211-7156
MUSLU HARUN, KALAYCIOĞLU ZEYNEP, ERDOĞAN TANER, GÖLCÜ AYŞEGÜL, ERİM FATMA BEDİA
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Detection of Axitinib Using Multiwalled Carbon Nanotube-Fe2O3/Chitosan Nanocomposite-Based Electrochemical Sensor and Modeling with Density Functional Theory
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Molecular architecture of a novel indoline-fused chromenylium-cyanine probe carrying methionine biomolecule for ultrasensitive analyzing Hg2+ ion in real samples
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING, Vol. 12, No. 6, Ocak 2024, s. 12, ISSN: 2213-2929
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Architecture of a novel NIR and switch-on fluorescent chemosensor based on mercapto propanehydrazide-functionalized chromenylium-cyanine for the quantification of mercury(II) in environment and living cells
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, Vol. 329, Ocak 2025, s. 12, ISSN: 1386-1425
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Exploring the potential of Sn–Ge based hybrid organic–inorganic perovskites: A density functional theory based computational screening study
The Journal of Chemical Physics, Vol. 161, Ağustos 2024, ISSN: 0021-9606
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Light-Harvesting Lead-Free Mixed Cation Hybrid Halide Perovskites: A Density Functional Theory-Based Computational Screening Study
ACS Applied Energy Materials, Vol. 7, Ocak 2024, ISSN: 2574-0962
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Reply to Comment on \u201cCorrosion-induced microstructure degradation of copper in sulfide-containing simulated anoxic groundwater studied by synchrotron high-energy X-ray diffraction and ab-initio density functional theory calculation\u201d
Corrosion Science, Vol. 199, Ocak 2022, ISSN: 0010-938X
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