Computational Chemistry at Bogazici University

Recent Publications

- Investigation of iron release from the N- and C-lobes of human serum transferrin by quantum chemical calculations Findik, B.K., Cilesiz, U., Bali, S.K., Atilgan, C., Aviyente, V., Dedeoglu, C. Organic& Biomolecular Chemistry, 20, 8766-8774, 2022, Impact Factor: 3.89, Q1
- Solvent dependent hindered rotation versus epimerization in axially chiral thiohydantoin derivatives: an experimental and a computational study Gunal, S. E., Azizoglu, I., Arica, O., Haslak, Z. P., Aviyente, V., Dogan, I., Organic & Biomolecular Chemistry, 20, 7622-7631, 2022, Impact Factor: 3.89, Q1
- Theoretical Investigation of the Biogenetic Pathway for Formation of Antibacterial Indole Alkaloids from Voacanga africana Soysal, E.N., Fındık, V., Dedeoglu, B., Aviyente, V., Tantillo, D. J., ACS Omega, 7 (35), 31591–31596, 2022 Impact Factor: 4.132, Q2
- Computational descriptor analysis on excited state behaviours of a series of TADF and non-TADF compounds Ulukan, P., Bas, E.E., Ozek, R. B., Kaynak, C. D., Monari, A., Aviyente, V., Catak, S., Physical Chemistry Chemical Physics, 24, 16167–16182, 2022, Impact Factor: 3.60, Q1
- Influence of ionic liquids on the electronic environment of atomically dispersed Ir on (MgO)(100) Akgul, D., Kurtoglu-Oztulum, S. F., Zhao, X., Fındık, V., Monari, A., Uzun, A., Aviyente, V., Physical Chemistry Chemical Physics, 24, 11305-11314, 2022, Impact Factor: 3.60, Q1
- Photophysical Properties of Benzophenone-Based TADF Emitters in Relation to Their Molecular Structure Bas, E.E., Ulukan, P., Monari, A., Aviyente, V., Catak, S., The Journal of Physical Chemistry A, 126, 4, 473–484, 2022, Impact Factor: 2.781, Q2

News

Evrim defended her PhD. thesis. Congrats! (30/01/2023)

Deniz defended her PhD. thesis. Congrats! (26/07/2022)

Melisa Kıran defended her MSc thesis. Congrats! (06/06/2022)

İpek Azizoğlu defended her MSc thesis. Congrats! (03/06/2022)

A warm welcome to Ibrahim who has just joined our group! (30/04/2022)

Aylin defended her MSc thesis. Congrats! (27/04/2022)

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