An Ab Initio Study on the Interaction of Iodine with SmallPolyaromatic Hydrocarbons
10th Chemical Physics Conference, 10 Ekim 2012
SÜTAY BERKAY,YURTSEVER MİNE,YURTSEVER İSMAİL ERSİN
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Tracking optical properties of iron-doped tincal: Ab-initio calculations
Global meet on nanotechnology, Osaka/JAPONYA, 12 Haziran 2023
ÖZUĞURLU ERSİN, DURU İZZET PARUĞ, ARDA LÜTFİ
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An Ab-Initio Study of Iron and Aluminum Co-Doped Rutile Nano and Microcrystals
NANOSMAT2021, 25 Ekim 2021
MANSOOR MUBASHİR, MANSOOR MEHYA, MANSOOR MARYAM, ER ZUHAL
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AB-initio modelling of oxygen reduction reaction on doped graphene surface in acidic media
Enerji Enstitüsü, İstanbul Teknik Üniversitesi, 2019
HASAN OZAN AVCI
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Global geometry optimization of silicon clusters employing empirical potentials density functionals and ab initio calculations
J. Theoretical and Computational Chemistry, Vol. 4, Temmuz 2005, s. 1119
TEKİN ADEM,BERND HARTKE
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Ab initio and matrix isolation study of the acetylene furan dimer
Chem. Phys., Vol. 343, Ocak 2008, s. 168
ELSA SANCHEZ,ARTUR MARDYUKOV,TEKİN ADEM,RACHEL CRESPOOTERO,LUİS MONTERO,WOLFRAM SANDER,GEORG JANSEN
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Ab initio crystal structure prediction A case study NaBH4
J. Solid State. Chem., Vol. 184, Mayıs 2011, s. 1622
RİCCARDA CAPUTO,TEKİN ADEM
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Ab initio crystal structure prediction by combining symmetry analysis representations and total energy calculations An insight into the structure of Mg BH4 2
Phys. Chem. Chem. Phys., Vol. 15, Ocak 2013, s. 1471
RİCCARDA CAPUTO,ARKADİUSZ KUPCZAK,WİESLAWA SİKORA,TEKİN ADEM
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Hydrogen Storage in Trimetallic Borohydrides: a Crystal Structure Prediction and Ab Initio Molecular Dynamics Simulations Study
American Chemical Society (ACS), Vol. 127, Eylül 2023, ISSN: 1932-7447
DEMİR SAMET, TORKASHVAND MOSTAFA, JOUYBAR SHİRZAD, NİKFARJAM ZAHRA, ZARGARİ FARSHİD, TAFRESHİ SAEEDEH SARABADANİ, TEKİN ADEM
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Stress-induced changes in phonon frequencies of ZrSiO4: Infrared spectroscopy-based pressure sensor
Solid State Communications, Elsevier, Vol. 357, Aralık 2022, ISSN: 00381098
MANSOOR MUBASHİR, MANSOOR MEHYA, MANSOOR MARYAM, ER ZUHAL, CZELEJ KAMİL, ÜRGEN MUSTAFA
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Ab-initio study of paramagnetic defects in Mn and Cr doped transparent polycrystalline Al2O3 ceramics
Synthesis and Sintering, Vol. 1, Eylül 2021, s. 135-142, ISSN: 2564-0186
MANSOOR MUBASHİR, MANSOOR MARYAM, MANSOOR MAHYA, ŞAHİN FİLİZ, ER ZUHAL
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Ab-initio calculation of point defect equilibria during heat treatment: Nitrogen, hydrogen, and silicon doped diamond
arXiv preprint, Kasım 2021, ISSN: arXiv:2111.11359
MANSOOR MUBASHİR, MANSOOR MEHYA, MANSOOR MARYAM, AKSOY AMMAR, SEYHAN SİNEM NERGİZ, YİLDİRİM BETUL, TAHİRİ AHMET, SOLAK NURİ, KAZMANLI MUHAMMET KÜRŞAT, ER ZUHAL, CZELEJ KAMİL, ÜRGEN MUSTAFA
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Ab-initio study of paramagnetic defects in Mn and Cr doped transparent polycrystalline Al2O3 ceramics
Synthesis and Sintering, Vol. 1, No. 3, Ağustos 2021, s. 135-142, ISSN: 2564-0194","2564-0186
MANSOOR MUBASHİR, MANSOOR MEHYA, MANSOOR MARYAM, ER ZUHAL, ÇINAR ŞAHİN FİLİZ
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Ab-initio calculation of point defect equilibria during heat treatment: Nitrogen, hydrogen, and silicon doped diamond
Diamond and Related Materials, Vol. 126, Haziran 2022, ISSN: 0925-9635 ISSN
MANSOOR MUBASHİR, MANSOOR MEHYA, MANSOOR MARYAM, AKSOY AMMAR, SEYHAN SİNEM NERGİZ, YİLDİRİM BETUL, TAHİRİ AHMET, SOLAK NURİ, KAZMANLI MUHAMMET KÜRŞAT, ER ZUHAL, CZELEJ KAMİL, ÜRGEN MUSTAFA
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Understanding passive film degradation and its effect on hydrogen embrittlement of super duplex stainless steel – Synchrotron X-ray and electrochemical measurements combined with CalPhaD and ab-initio computational studies
Applied Surface Science, Vol. 628, No. 157364, Ağustos 2023, ISSN: 0169-4332
ÖRNEK CEM, ZHANG FAN, LARSSON ALFRED, MANSOOR MUBASHİR, HARLOW GARY, KROLL ROBİN, CARLÀ FRANCESCO, HUSSAİN HADEEL, ENGELBERG DİRK, DERİN CEVAT BORA, PAN JİNSHAN
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Corrosion-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
Corrosion Science, Vol. 184, Ocak 2021, ISSN: 0010-938X
ZHANG FAN, ÖRNEK CEM, LİU MİN, MÜLLER TİMO, LİENERT ULRİCH, RATİA-HANBY VİLMA, CARPÉN LEENA, ISOTAHDON ELİSA, PAN JİNSHAN
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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
PAN JİNSHAN, ÖRNEK CEM, LİENERT ULRİCH, LİU MİN, MÜLLER TİMO, ZHANG FAN, RATİA-HANBY VİLMA, CARPÉN LENA, ISOTAHDON ELİSA
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Free radical polymerization of ethyl methacrylate and ethyl alpha-hydroxy methacrylate: A computational approach to the propagation kinetics
POLYMER, Vol. 53, No. 15, 2012, s. 3211-3219, ISSN: 0032-3861
DOĞAN BERNA,ÇATAK ŞARON,VAN SPEYBROECK VERONİQUE,WAROQUİER MİCHEL,AVİYENTE VİKTORYA
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An Ab Initio Study On The Interaction Between Small Functional Graphene Analogs With Iodine Molecule For The Halogene Intercalation Process Of Graphene Sysnthesis
ECOSS-30 - 30th European Conference on Surface Science, 31 Ağustos 2014
SÜTAY BERKAY,YURTSEVER MİNE,YURTSEVER İSMAİL ERSİN
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Understanding passive film degradation and its effect on hydrogen embrittlement of super duplex stainless steel – Synchrotron X-ray and electrochemical measurements combined with CalPhaD and ab-initio computational studies
Applied Surface Science, Vol. 628, Ağustos 2023, ISSN: 0169-4332
ÖRNEK CEM, DERİN CEVAT BORA, ZHANG F, LARSSON A, MANSOOR M., HARLOW G.S., KROLL R, CARLA F., HUSSAİN H., ENGELBERG D.L., PAN JİNSHAN
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