Projeler:

  • 1) TÜBİTAK-3501, Proje No:117Z354, Proje Başlığı: "Yeni Yarıiletken Konjüge Polimerlerin Tasarımı ve Elektronik ve Optik Özelliklerinin Kuantum Kimyasal Yöntemlerle Sistematik Olarak Incelenmesi”, Ekim 2017-Nisan 2020.
  • 2) TÜBİTAK-1001, Proje No:213M390, Proje Başlığı: "Karbon Dioksit Yakalayan Organik Sıvıların Reaksiyon Kinetiği ve Mekanizmasının Deneysel Ve Moleküler Modelleme Yöntemleriyle Incelenmesi". Mart 2014-Mart 2016.

Tezler:

  • 1) Rabia El-Hag, Doktora Tezi: “Design of  Novel Platinum and Palladium Complexes Containing Pyridyl Type Ligands for Cancer Tumor Treatment Using Molecular Modeling Approach”, 2014-devam ediyor.
  • 2) Mahmoud Abduesslam, Doktora Tezi: “Theoretical Investigation of Carbonyl Sulfide Capture by Organic Solvents”, 2017-devam ediyor.
  • 3) Abubaker Bushra Ali Mehasi, Yüksek Lisans Tezi: “Recovery of Silver from Silver Oxide Batteries: A Combined Experimental and Computational Study”, 2017 tamamlandı.
  • 4) Abubaker Hadia, Yüksek Lisans Tezi: “Theoretical Investigation of Carbonyl Sulfide Capture by Aqueous Diethanol Amine Solution”, 2017 tamamlandı.
  • 5) Ali Almuamri, Yüksek Lisans Tezi: “Modeling and Simulation of a Vacuum Distillation Unit in an Oil Refinery”, 2017 tamamlandı.
  • 6) Khaled Sowani, Yüksek Lisans Tezi: “Design and Optimization of an Atmospheric Distillation Unit in an Oil Refinery”, 2017 tamamlandı.
  • 7) Muhsen Elmatouf, Yüksek Lisans Tezi: “Modeling and Simulation of Depentanizer Column in an Aromatic Plant”, 2015-devam ediyor.
  • 8) Ali Balnaser, Yüksek Lisans Tezi: “Design of Novel Platinum Complexes Containing Pyridylquinoxaline Type Ligand Using Molecular Modeling Approach”, 2016-devam ediyor.
  • 9) Latifa El Hafei, Yüksek Lisans Tezi: “Design of Novel Platinum Complexes Containing Pthionylquinoxalina Type Ligand Using Molecular Modeling Approach”, 2016-devam ediyor.
  • 10) Younis Muhsin Younis, Yüksek Lisans Tezi: ”Prediction of Flash Point of a Fuel Used in Power Plant by Using Artificial Neural Networks”. 2017-devam ediyor.

Yayınlar:

  • 1) Kaya, B; Kayı, H (2017), Design of novel tellurium and selenium containing semiconducting polymers using quantum mechanical tools, Computational and Theoretical Chemistry, 1099, pp. 45-54
  • 2) Y.-Orhan, Ö; Tankal, H; Kayı, H; Alper, E (2017), Investigation of a new carbon dioxide capturing organic solvent: Reaction mechanism and kinetics, Chemical Engineering & Technology, 40(4), pp.737-744
  • 3) Tankal, H; Y.-Orhan, Ö; Alper, E; Özdoğan, T; Kayı, H (2016), Experimental and theoretical investigation of reaction between CO2 and carbon dioxide binding organic liquids, Turk J Chem, 40, pp. 706-719
  • 4) Y.-Orhan, Ö; Tankal, H; Kayı, H; Alper, E (2016), Kinetics of CO2 capture by carbon dioxide binding organic liquids: Experimental and molecular modeling studies, International Journal of Greenhouse Gas Control, 49, 379–386
  • 5) Y-Orhan, Ö; Kayı, H; Alper, E (Editor: Grammelis, Panagiotis) (2016), Kinetics of CO2 capture by carbon dioxide binding organic liquids, Energy, Transportation and Global Warming, Green Energy and Technology, Springer International Publishing Switzerland, DOI 10.1007/978-3-319-30127-3_43, pp. 591-603
  • 6) Nori-Shargh, D; Hasanzadeh, N; Kayı, H; Rezaeijavid, N (2015), Correlations between hardness, electrostatic interactions and thermodynamic parameters in the decomposition reactions of 3-buten-1-ol, 3-methoxy-1-propene and ethoxyethene, Structural Chemistry, 26, 547-554
  • 7) Kayı, H; Elkamel, A (2015), A theoretical investigation of 4,7-di(furan-2-yl)benzo[c][1,2,5] selenadiazole-based donor-acceptor type conjugated polymer, Computational and Theoretical Chemistry, 1054, 38-45
  • 8) Erdogan Altunoz, D; Kayı, H; Ozalp-Yaman, S (2015), Spectroelectrochemical investigation of nuclease active Pt(II) complexes containing pyrrole oxime, Electrochimica Acta, 158, 333-341
  • 9) Kayı, H (2014), A computational study on 4,7-di(furan-2-yl)benzo[c][1,2,5]thiadiazole monomer and its oligomers, Journal of Molecular Modeling, 20:2269, 1-7
  • 10) Nori-Shargh, D; Mousavi, SN; Kayı, H (2014), Conformational behaviors of trans-2,3- and trans-2,5-dihalo-1,4-diselenanes. A complete basis set, hybrid-density functional theory study and natural bond orbital interpretations, Journal of Molecular Modeling, 20:2249.

Lisans Bitirme Projeleri:

  • Birnur Kaya: ”Selenofen, selenadiazol ve tellürofen telluradiazol içeren yarıiletken polimerlerin yoğunluk fonksiyoneli teorisi ile tasarım ve benzetimi” (2015-2016)
  • Özge Özkılınç: ”Yoğunluk fonksiyoneli teorisi yardımıyla bazı yarıiletken polimerlerin tasarımı ve elektronik bant aralıklarının hesaplanması”, 2016-2017.
  • Ezgi Karakoç: Furan bazlı yeni yarıiletken polimerlerin tasarımı ve benzetimi (2017-devam ediyor)
  • Hazal Tuğçe Öztürk: Tiyofen bazlı yeni yarıiletken polimerlerin tasarımı ve benzetimi (2017-devam ediyor)