Assessing CH4/N2 separation potential of MOFs, COFs, IL/MOF, MOF/Polymer, and COF/Polymer composites HC Gulbalkan, ZP Haslak, C Altintas, A Uzun, S Keskin Chemical Engineering Journal 428, 131239, 2022 | 128 | 2022 |
Composites of porous materials with ionic liquids: Synthesis, characterization, applications, and beyond O Durak, M Zeeshan, N Habib, HC Gulbalkan, AAAM Alsuhile, ... Microporous and Mesoporous Materials 332, 111703, 2022 | 49 | 2022 |
Accelerating discovery of COFs for CO2 capture and H2 purification using structurally guided computational screening GO Aksu, I Erucar, ZP Haslak, S Keskin Chemical Engineering Journal 427, 131574, 2022 | 41 | 2022 |
An Integrated Computational–Experimental Hierarchical Approach for the Rational Design of an IL/UiO‐66 Composite Offering Infinite CO2 Selectivity M Zeeshan, HC Gulbalkan, O Durak, ZP Haslak, U Unal, S Keskin, ... Advanced Functional Materials 32 (35), 2204149, 2022 | 34 | 2022 |
Using Atomic Charges to Describe the pKa of Carboxylic Acids ZP Haslak, S Zareb, I Dogan, V Aviyente, G Monard Journal of Chemical Information and Modeling 61 (6), 2733-2743, 2021 | 32 | 2021 |
Combined GCMC, MD, and DFT approach for unlocking the performances of COFs for methane purification OF Altundal, ZP Haslak, S Keskin Industrial & Engineering Chemistry Research 60 (35), 12999-13012, 2021 | 30 | 2021 |
Doubling CO2/N2 separation performance of CuBTC by incorporation of 1-n-ethyl-3-methylimidazolium diethyl phosphate M Zeeshan, HC Gulbalkan, ZP Haslak, S Keskin, A Uzun Microporous and Mesoporous Materials 316, 110947, 2021 | 29 | 2021 |
Multi-scale computational screening to accelerate discovery of IL/COF composites for CO2/N2 separation HC Gulbalkan, ZP Haslak, C Altintas, A Uzun, S Keskin Separation and Purification Technology 287, 120578, 2022 | 20 | 2022 |
SAMPL7 blind challenge: quantum–mechanical prediction of partition coefficients and acid dissociation constants for small drug-like molecules BK Fındık, ZP Haslak, E Arslan, V Aviyente Journal of Computer-Aided Molecular Design 35 (7), 841-851, 2021 | 13 | 2021 |
Exploring covalent organic frameworks for H2S+ CO2 separation from natural gas using efficient computational approaches GO Aksu, I Erucar, ZP Haslak, S Keskin Journal of CO2 Utilization 62, 102077, 2022 | 11 | 2022 |
A Theoretical Study On Rh(I) Catalyzed Enantioselective Conjugate Addition Reactions of Fluoroalkylated Olefins E Boz, ZP Haslak, N Tüzün, A Konuklar Organometallics 33, 5111−5119, 2014 | 11 | 2014 |
Elucidation of the atroposelectivity in the synthesis of axially chiral thiohydantoin derivatives ZP Haslak, SA Cinar, SS Ozbek, G Monard, I Dogan, V Aviyente Organic & Biomolecular Chemistry 18 (12), 2233-2241, 2020 | 10 | 2020 |
Prediction of the 1H NMR Spectra of Epoxy-fused Cyclopentane Derivatives by Calculations of Chemical Shifts and Spin-Spin Coupling Constants C Özen, A Yıldırım, N Tüzün, ZP Haslak, E Doğan, E Acar, V Aviyente Molecular Physics 111 (20), 3147-3155, 2013 | 4 | 2013 |
Evaluation of the pKa's of Quinazoline derivatives: Usage of quantum mechanical based descriptors M Kiran, ZP Haslak, H Ates, V Aviyente, FA Akin Journal of Molecular Structure 1303, 137552, 2024 | 3 | 2024 |
DNA preference of indenoisoquinolines: a computational approach SK Bali, ZP Haslak, G Cifci, V Aviyente Organic & Biomolecular Chemistry 21 (21), 4518-4528, 2023 | 3 | 2023 |
Solvent dependent hindered rotation versus epimerization in axially chiral thiohydantoin derivatives: an experimental and a computational study SE Gunal, I Azizoglu, O Arica, ZP Haslak, V Aviyente, I Dogan Organic & Biomolecular Chemistry 20 (38), 7622-7631, 2022 | 3 | 2022 |
Quantum Mechanical Prediction of Dissociation Constants for Thiazol-2-imine Derivatives E Arslan, ZP Haslak, G Monard, I Dogan, V Aviyente Journal of Chemical Information and Modeling 63 (10), 2992-3004, 2023 | 2 | 2023 |
A DFT approach to discriminate the antagonist and partial agonist activity of ligands binding to the NMDA receptor ZP Haslak, E Bozkurt, B Dutagaci, F De Proft, V Aviyente, ... Molecular Physics 116 (3), 323-337, 2018 | 1 | 2018 |
Origins of the substituent effects in the aldol condensation of axially chiral thiohydantoins: a computational study NG Carpa, Z Ozerdem, I Dogan, ZP Haslak, V Aviyente Organic & Biomolecular Chemistry, 2025 | | 2025 |
A Kinetic Approach to the Pyrolysis of Naphthenic Acids II Demiralp, I Azizoglu, AB Cimen, M Haktanir, S Karahan, ZP Haslak, ... Industrial & Engineering Chemistry Research 62 (34), 13368-13379, 2023 | | 2023 |