Computational Chemistry at Bogazici University

- 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
- Computational Study of Photo-Oxidative Degradation Mechanisms of Boron-Containing Oligothiophenes Kucur, O., Turan, H.T., Monari, A., Aviyente, V., Journal of Physical Chemistry A, 124(7), 1390-1398, 2020, Impact Factor: 2.634, Q2