Computational Chemistry at Bogazici University

Recent Publications

- Local Vibrational Mode Analysis of Ion–Solvent and Solvent–Solvent Interactions for Hydrated Ca2+ Clusters Delgado, A.A.A., Sethio, D., Munar, I., Aviyente, V., Kraka, E., Journal of Chemical Physics, 153(22), 224303, 2020, Impact Factor: 2.997, Q1
- Electronic Structure of Atomically Dispersed Supported Iridium Catalyst Controls Iridium Aggregation Kurtoglu, S.F., Hoffman, A.S., Akgul, D., Babucci, M., Aviyente, V., Gates, B.C., Bare, S.R. , Uzun, A., ACS Catalysis, 10, 21, 12354-12358, 2020, Impact Factor: 12.22, Q1
- Photophysical, Kinetic and Thermodynamic Study of One-Component Type II Thioxanthone Acetic Acid Photoinitiators Metin, E., Arsu, N., Çatak, S., Aviyente, V., European Polymer Journal, 136, 109909, 2020, Impact Factor: 3.899, Q1
- Pyrolysis of Alkanes: A Computational Approach Bas, E.E., Karahan, S., Köstereli, Z., Haktanır, M., Aviyente, V., Journal of Physical Chemistry A, 124 (28), 5700-5708, 2020, Impact Factor: 2.634, Q2
- A Blind SAMPL6 Challenge: Insight Into the Octanol-Water Partition Coefficients of Drug-Like Molecules via a DFT Approach Arslan, E., Fındık, B.K., Aviyente, V., Journal of Computer Aided Molecular Design, 34, 463-470, 2020, Impact Factor: 3.582, Q2
- Solvent Effects on Thiol-Ene Kinetics and Reactivity of Carbon and Sulfur Radicals Munar, İ., Fındık, V., Degirmenci, I., Aviyente, V., Journal of Physical Chemistry A, 124(13), 2580-2590, 2020, Impact Factor: 2.634, Q2

News

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

Basak became a PhD Candidate ! Good luck with your research! (16/02/2021)

Ekin defended her MSc thesis. Congrats! (11/02/2021)

A warm welcome to Melisa who has just joined our group! (24/06/2020)

İpek M defended her MSc thesis. Congrats! (9/01/2020)

Pınar defended her PhD Thesis! Congratulations! (13/12/2019)

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