Combining molecular docking, molecular dynamics and machine learning approaches in an active
learning scheme
Joint 50th Congress of the Physical Chemistry Division of the Società Chimica Italiana and the 5th European Conference on Physical Chemistry (, Pisa/İTALYA, 29 Haziran 2025
DOĞAN BERNA,ÖZÖNDER ŞENER,AVŞAR TİMUÇİN,DURDAĞI SERDAR
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Antioxidant Activity Analyses of Some Pyridazine Derivatives
International Conference on Physical Chemistry and Functional Materials, ELAZIĞ/TÜRKİYE, 19 Haziran 2018
ENİSOĞLU ATALAY VİLDAN,AYIK YEŞİM
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FUSEDTHIOPHENES FOR OLED, OFET and SOLAR CELL APPLICATIONS
International Conference on Physical Chemistry and Functional Materials (PCFM’18), Elazığ/TÜRKİYE, 19 Haziran 2018
ÇINAR MEHMET EMİN
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First-Principles Crystal Structure Prediction of Cu(I)-TCNQ Polymorphs
Journal of Physical Chemistry C, Vol. 124, Ocak 2020, ISSN: 1932-7447
CAPUTO RİCCARDA, DEMİR SAMET, TEKİN ADEM
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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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CONDENSATION REACTIONS GLYOXAL AND DIHYDROXY AROMATIC COMPOUNDS
TURKISH VIIITH NATIONAL SYMPOSIUM ON CHEMISTRY AND CHEMICAL ENGINEERING, VOL 3: PHYSICAL CHEMISTRY ; POLYMER CHEMISTRY, Vol. 518, No. 3, Eylül 1992, s. 315-318
SİRKECİOĞLU OKAN,TUNCA AYSEGUL,TALINLI NACIYE E,AKAR AHMET
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Synthesis and characterization of 2-aminoethylphosphonic acid-functionalized graphene quantum dots: biological activity, antioxidant activity and cell viability
indian journal of chemistry section A-inorganic bio-inorganic physical theoretical & analytical chemistry, Vol. 59, No. 3, Mart 2020, s. 317-323, ISSN: 0376-4710
YAPAR GÖNÜL, ŞENEL BEHİYE, DEMİR NESLİHAN, YILDIZ MUSTAFA
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Investigation of Grain Size Effect on the Tensile Behavior of Nano-Crystalline Aluminum by Molecular Dynamics Simulations
International Conference on Physical Chemistry and Functional Materials (PCMF'18), Elazığ/TÜRKİYE, 19 Haziran 2018, s. 207-207
DEĞİRMENCİ ÜNAL,ERTÜRK AHMET SEMİH,YILDIZ YUNUS ONUR,KIRCA MESUT
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Different Atomistic Modeling Approaches for Investigating the Tensile Properties of Aluminum Nanostructures
International Conference on Physical Chemistry and Functional Materials (PCMF'18), Elazığ/TÜRKİYE, 19 Haziran 2018, s. 190-190
DEĞİRMENCİ ÜNAL,ERTÜRK AHMET SEMİH,YILDIZ YUNUS ONUR,KIRCA MESUT
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Preparation of Metal Oxide/rGO Nanocomposites and Use for Determination of Rutin Antioxidant by Voltametric Method
3rd International Conference on Physical Chemistry and Functional Materials (PCFM’20), 22 Eylül 2020
KORKMAZ ECEM, ŞENOCAK AHMET, DEMİRBAŞ ERHAN, KHATAEE ALI REZA
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Effect of Heat Treatment on Corrosion Resistance of Electroless Duplex Ni–P/Ni–B Coatings
Protection of Metals and Physical Chemistry of Surfaces, Vol. 60, Aralık 2024, ISSN: 2070-2051
DİL GÖKÇE,YÜKSEL BEHİYE,MUHAFFEL FAİZ,SERİN İHSAN GÖKHAN,KOSA ERGİN,GÖKŞENLİ ALİ
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The Voltammetric Determination of Bisphenol A Content of Polycarbonate Utensils Using a Resin Modified Carbon Paste Electrode
Current Physical Chemistry, Vol. 7, No. 1, Ağustos 2017, s. 47-56, ISSN: 1877-9468
YILDIZ GÜLCEMAL,İKİKARDEŞLER SEDA,BİLDİK FATİH,ŞENKAL BAHİRE FİLİZ
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Solvation of a Cellulose Microfibril in Imidazolium Acetate Ionic Liquids: Effect of a Cosolvent
The Journal of Physical Chemistry B, Vol. 118, No. 51, Aralık 2014, s. 14860-14869, ISSN: 1520-6106
VELİOĞLU SADİYE,YAO XUN,DEVEMY JULİEN,AHUNBAY MEHMET GÖKTUĞ,TANTEKİN-ERSOLMAZ S. BİRGUL,DEQUİDT ALAİN,GOMES MARGARİDA F. COSTA,PADUA AGİLİO A. H.
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In Silico Design of Metal Organic Frameworks with Enhanced CO2 Separation Performances: Role of Metal Sites
The Journal of Physical Chemistry C, Vol. 123, No. 46, Ekim 2019, s. 28255-28265, ISSN: 1932-7447
AVCİ GOKAY,VELİOĞLU SADİYE,KESKİN AVCI SEDA
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Detection of Nanoscale Structural Defects in Degraded Fe-Doped SrTiO3 by Ultrafast Photoacoustic Waves
The Journal of Physical Chemistry C, Vol. 122, No. 24, Mayıs 2018, s. 12864-12868, ISSN: 1932-7447
ZHANG YİNG,KURT ONUR,ASCİENZO DAVİD,YANG QİAN,LE TONG,GREENBAUM STEVE,BAYER THORSTEN J. M.,RANDALL CLİVE A.,REN YUHANG
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Discovering novel lead-free mixed cation hybrid halide perovskites via machine learning
Physical Chemistry Chemical Physics, Vol. 27, Ocak 2025, ISSN: 1463-9076
JAMALİNABİJAN FATEMEH,ALİDOUST SOMAYYEH,İNİŞ DEMİR GÖZDE,TEKİN ADEM
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Identifying and Assessing Putative Allosteric Sites and Modulators for CXCR4 Predicted through Network Modeling and Site Identification by Ligand Competitive Saturation
The Journal of Physical Chemistry B, Vol. 128, No. 21, Nisan 2024, s. 5157-5174, ISSN: 1520-6106
İNAN TUĞÇE,FLINKO ROBIN,LEWİS GEORGE K.,MACKERELL JR. ALEXANDER D.,KÜRKÇÜOĞLU LEVİTAS AYŞE ÖZGE
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Influence of Doping and Controlled Sn Charge State on the Properties and Performance of SnO2 Nanoparticles as Anodes in Li-Ion Batteries
The Journal of Physical Chemistry C, Vol. 124, Ocak 2020, ISSN: 1932-7447","1932-7455
LOPEZ ANTONİO VAZQUEZ, MAESTRO DAVİD, RAMÍREZ-CASTELLANOS JULİO, GONZÁLEZ-CALBET JOSE M., PİS IGOR, NAPPİNİ SİLVİA, YUCA DOĞDU NESLİHAN, CREMADES ANA
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Computational Survey of Recent Experimental Developments in the Hydroxylation Mechanism of Kynurenine 3-Monooxygenase
The Journal of Physical Chemistry A, Vol. 125, Ocak 2021, ISSN: 1089-5639
ÖZKILIÇ YILMAZ, TÜZÜN NURCAN
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Mechanical characteristics and failure behavior of puckered and buckled allotropes of antimonene nanotubes: a molecular dynamics study
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 25, Ocak 2023, ISSN: 1463-9076
ÇETİN MURAT, KIRCA MESUT
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