| Simulation and modelling of MOFs for hydrogen storage Y Basdogan, S Keskin CrystEngComm 17 (2), 261-275, 2015 | 139 | 2015 |
| Thermodynamic hydricities of biomimetic organic hydride donors S Ilic, U Pandey Kadel, Y Basdogan, JA Keith, KD Glusac Journal of the American Chemical Society 140 (13), 4569-4579, 2018 | 88 | 2018 |
| Identifying Highly Selective Metal Organic Frameworks for CH4/H2 Separations Using Computational Tools Y Basdogan, KB Sezginel, S Keskin Industrial & Engineering Chemistry Research 54 (34), 8479-8491, 2015 | 68 | 2015 |
| Advances and challenges in modeling solvated reaction mechanisms for renewable fuels and chemicals Y Basdogan, AM Maldonado, JA Keith Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (2), e1446, 2020 | 63 | 2020 |
| Machine learning-guided approach for studying solvation environments Y Basdogan, MC Groenenboom, E Henderson, S De, SB Rempe, ... Journal of chemical theory and computation 16 (1), 633-642, 2019 | 62 | 2019 |
| Computational investigation of CO 2 electroreduction on tin oxide and predictions of Ti, V, Nb and Zr dopants for improved catalysis K Saravanan, Y Basdogan, J Dean, JA Keith Journal of Materials Chemistry A 5 (23), 11756-11763, 2017 | 61 | 2017 |
| A paramedic treatment for modeling explicitly solvated chemical reaction mechanisms Y Basdogan, JA Keith Chemical science 9 (24), 5341-5346, 2018 | 46 | 2018 |
| Doped amorphous Ti oxides to deoptimize oxygen reduction reaction catalysis MC Groenenboom, RM Anderson, DJ Horton, Y Basdogan, DF Roeper, ... The Journal of Physical Chemistry C 121 (31), 16825-16830, 2017 | 32 | 2017 |
| Mechanism of Isobutylene Polymerization: Quantum Chemical Insight into AlCl3/H2O-Catalyzed Reactions MN Vo, Y Basdogan, BS Derksen, N Proust, GA Cox, C Kowall, JA Keith, ... ACS Catalysis 8 (9), 8006-8013, 2018 | 25 | 2018 |
| First-principles modeling of chemistry in mixed solvents: Where to go from here? AM Maldonado, Y Basdogan, JT Berryman, SB Rempe, JA Keith The Journal of Chemical Physics 152 (13), 2020 | 20 | 2020 |
| Unveiling the synergistic role of oxygen functional groups in the graphene-mediated oxidation of glutathione Y Wang, Y Basdogan, T Zhang, RS Lankone, AN Wallace, DH Fairbrother, ... ACS Applied Materials & Interfaces 12 (41), 45753-45762, 2020 | 14 | 2020 |
| Machine learning-guided discovery of polymer membranes for CO2 separation with genetic algorithm Y Basdogan, DR Pollard, T Shastry, MR Carbone, SK Kumar, ZG Wang Journal of Membrane Science 712, 123169, 2024 | 4 | 2024 |
| Machine learning-based discovery of molecular descriptors that control polymer gas permeation T Shastry, Y Basdogan, ZG Wang, SK Kumar, MR Carbone Journal of Membrane Science 697, 122563, 2024 | 3 | 2024 |
| Machine Learning-Guided Discovery of Polymer Membranes for CO2 Separation Y Basdogan, DR Pollard, T Shastry, MR Carbone, SK Kumar, ZG Wang | 2 | 2023 |
| Tuning Ether Motifs in Polymer Membranes for CO2 Separation ZGW Yasemin Basdogan ChemRxiv, 2022 | | 2022 |
| Understanding Solvation Environments in Chemical Systems Y Basdogan University of Pittsburgh, 2020 | | 2020 |
John A. KeithR.K. Mellon Faculty Fellow in Energy, Associate Professor, Chemical & Petroleum Engineering, PITTVerified email at pitt.edu
