Computational Chemistry at Bogazici University

Recent Publications

- Quantum Mechanical Prediction of Dissociation Constants for Thiazol-2-imine Derivatives Arslan, E., Haslak, Z.P., Monard, G., Dogan, I., Aviyente, V., Journal of Chemical Information and Modeling , 63, 2992-3004, 2023, Impact Factor: 6.162, Q1
- DNA preference of indenoisoquinolines: a computational approach Bali, S. K., Haslak, P. , Cifci, G., Aviyente, V., Organic & Biomolecular Chemistry, 21, 4518-4528, 2023, Impact Factor: 3.89, Q1
- 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

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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