Computational Chemistry at Bogazici University

Recent Publications

- 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, 2022
- 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
- Origins of the photoinitiation capacity of aromatic thiols as photoinitiatiors: a computational study Fındık, V., Fındık, B.K., Aviyente, V., Monari, A., Physical Chemistry Chemical Physics, 23, 24377-24385, 2021, Impact Factor: 3.676, Q1
- SAMPL7 blind challenge: quantum–mechanical prediction of partition coefficients and acid dissociation constants for small drug-like molecules Fındık, B.K., Haslak, Z.P., Arslan, E., Aviyente, V., Journal of Computer Aided Molecular Design, 2021, Impact Factor: 2.546, Q2

News

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)

Congratulations to our undergrads, İdil and Barkın, on being awarded a scholarship from TUBITAK 2209-B! (08/11/2021)

Upcoming Conferences

Recent Publications

Quick Links