Computational Chemistry at Bogazici University

Recent Publications

- Influence of ionic liquids on the electronic environment of atomically dispersed Ir on (MgO)(100) Akgul, D., Kurtoglu-Oztulum, S.F, Zhao, Y., Fındık, V., Monari, A., Uzun, A., Aviyente, V., Physical Chemistry Chemical Physics, 2022, Impact Factor:
- 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
- Oxidative decomposition and mineralization of caffeine by advanced oxidation processes: The effect of hybridization Ziylan-Yavas, A., Ince, H.N., Ozon, E., Arslan, E., Aviyente, V., Savun-Hekimoglu, B., Erdincler, A., Ultrasonics Sonochemistry, 76, 105635, 2021, Impact Factor: 6.513, Q1
- Using Atomic Charges to Describe the pKa of Carboxylic Acids Haslak, Z.P., Zareb, S., Dogan, I., Aviyente, V., Monard, G., Journal of Chemical Information and Modeling, 61, 6, 2733-2743, 2021, Impact Factor: 4.549, Q1

News

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)

Congratulations to Ipek M on her PhD scholarship from the Council of Higher Education! (30/09/2021)

A warm welcome to Melisa Su who has just joined our group! (07/10/2021)

VA is selected as one of the Turkey’s Leading Mentors on Contemporary Chemistry (08/06/2021)

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