Book Chapters:
4. Altintas, C., Erucar, I., Keskin, S. “Computational Screening of MOFs Metal-organic frameworks (MOFs) for CO2 Capture”, Metal-Organic Frameworks in Biomedical and Environmental Field, Springer Nature, ISBN: 978-3-030-63379-0 (2020).
3. Gulcay, E., and Erucar I. “Metal organic frameworks for biomedical applications”, Two-Dimensional Nanostructures for Biomedical Technology, Elsevier, ISBN: 9780128176504 (2020).
2. Erucar I. and Keskin S. “Molecular Modeling of MOF Membranes for Gas Separations”, Membrane for Gas Separations, World Scientific Publishers-Imperial College Press (2017).
1. Erucar I. and Keskin S. “MOFs for CH4 Storage”, Comprehensive Energy Systems, Porous Materials, Elsevier (2017).
Journal Papers:
40. Batyrow, M., Dericiler, K., Akkoca Palabiyik, B., Saner Okan, B., Öztürk, H., Erucar, I. Combining Tensile Test Results with Atomistic Predictions of Elastic Modulus of Graphene/Polyamide-6, 6 Nanocomposites, Materials Today Communications, 35, 105636 (2023).
39. Aydın, S., Altintas, C., Erucar, I., Keskin, S. Computational Investigation of Dual Filler-Incorporated Polymer Membranes for Efficient CO2 and H2 Separation: MOF/COF/Polymer Mixed Matrix Membranes, Industrial & Engineering Chemistry Research, 62 (6), 2924 (2023).
38. Batyrow, M., Erucar, I., Ozturk, H. Size dependent change of mean square displacement in gold nanocrystals: A molecular dynamics simulation, Concurrency and Computation: Practice and Experience, e7566 (2023).
37. Davarcı, D., Erucar, I., Yücesan, G., Zorlu, Y. Cationic Metal–Organic Frameworks Synthesized from Cyclotetraphosphazene Linkers with Flexible Tentacles, Crystal Growth & Design, Crystal Growth & Design 22 (12), 7123 (2022).
36. Daglar, H., Altintas, C., Erucar, I., Heidari, G., Nazarzadeh Zare, E., Moradi, O., Srivastava, V., Iftekhar, S., Keskin, S., Sillanpää, M. Metal-Organic Framework-based Materials for the Abatement of Air Pollution and Decontamination of Wastewater, Chemosphere, 135082 (2022). (impact factor 8.94)
35. Aksu, G.O., Erucar, I., Haslak, Z.P., Keskin, S. Exploring Covalent Organic Frameworks for H2S+ CO2 Separation from Natural Gas using Efficient Computational Approaches, Journal of CO2 Utilization, 102077 (2022). (impact factor 8.32)
34. Yildiz, T., Erucar, I. Revealing the Performance of Bio-MOFs for Adsorption-Based Uremic Toxin Separation using Molecular Simulations, Chemical Engineering Journal, 134263 (2022). (impact factor 13.28)
33. Akkoca Palabıyık, B., Batyrow, M, Erucar, I. Computational investigations of Bio-MOF membranes for uremic toxin separation, Separation and Purification Technology, 281, 119852 (2022). (impact factor 7.3)
32. Aksu, G.O., Erucar, I., Haslak, Z.P., Keskin, S. Accelerating discovery of COFs for CO2 capture and H2 purification using structurally guided computational screening, Chemical Engineering Journal, 427, 131574 (2022). (impact factor 13.28)
31. Daglar, H., Gulbakan, H.C., Avcı, G., Aksu, G.O., Altundal, O.F., Altintas, C., Erucar, I., Keskin, S. Effect of MOF Database Selection on the Assessment of Gas Storage and Separation Potentials of MOFs, Angewandte Chemie International Edition, 133, 7907 (2021). (impact factor 12.9)
30. Daglar, H., Erucar, I., Keskin, S. Exploring the performance limits of MOF/polymer MMMs for O2/N2 separation using computational screening, Journal of Membrane Science, 618, 118555 (2021). (impact factor 7.2)
29. Daglar, H., Erucar, I., Keskin, S. Recent advances in simulating gas permeation through MOF membranes, Materials Advances, 2, 5300 (2021).
28. Avcı, G.,Erucar, I., Keskin, S. Do New MOFs Perform Better for CO2 Capture and H2 Purification? Computational Screening of the Updated MOF Database, ACS Applied Materials & Interfaces, 2 (37), 41567 (2020). (impact factor 8.8)
27. Erucar, I., Keskin, S. Unlocking the Effect of H2O on CO2 Separation Performance of Promising MOFs Using Atomically Detailed Simulations, Industrial & Engineering Chemistry Research, 59, 7 (2020). (impact factor 3.6)
26. Gulcay, E., Erucar, I. Biocompatible MOFs for storage and separation of O2: A molecular simulation study, Industrial & Engineering Chemistry Research, 58, 8 (2019). (impact factor 3.6)
25. Köse Yaman, P., Erer, H. Arıcı, M., Erucar, I., Yeşilel, O. Z. Hydrothermal synthesis and characterization of two dimensional coordination polymers with 2, 2′-dimethylglutarate and 1, 2-bis (imidazol-1-ylmethyl) benzene, Inorganica Chimica Acta, 488 (2019). (impact factor 2.0)
24. Altintas, C., Avci, G., Daglar, H., Vesali Azar, A. N., Erucar, I., Velioglu, S., Keskin, S. An extensive comparative analysis of two MOF databases: high-throughput screening of computation-ready MOFs for CH4 and H2 adsorption, Journal of Materials Chemistry A, 7, 16 (2019). (impact factor 11.3)
23. Longley, L., Collins, S. M., Li, S., Smales, G. J., Erucar, I., et al. Flux melting of metal–organic frameworks, Chemical Science, 10, 12 (2019). (impact factor 9.3)
22. Gulcay, E., Erucar, I. Molecular simulations of COFs, IRMOFs and ZIFs for adsorption-based separation of carbon tetrachloride from air, Journal of Molecular Graphics and Modelling, 86, 84 (2019). (impact factor 2.1)
21. Zhou, C., Longley, L., Krajnc, A., Smales, G. J., Qiao, A., Erucar, I., Doherty, C. M., Thornton, A.W., Hill, A.J., Ashling, C. W., Qazvini, O.T., Lee, S. J., Chater, P.A., Terrill, N. J., Smith, A.J., Yue, Y., Mali, G., Keen, D.A., Telfer, S.G., Bennett, T.D. Metal-organic framework glasses with permanent accessible porosity, Nature Communications, 9, 1, 5042 (2018). (impact factor 12.1)
20. Altintas, C., Avci, G., Daglar, H., Vesali Azar, A. N., Velioglu, S., Erucar, I., Keskin, S. Database for CO2 separation performances of MOFs based on computational materials screening, ACS Applied Materials & Interfaces, 10, 20, 17257 (2018). (impact factor 8.8)
19. Erucar, I., Keskin, S. High-throughput molecular simulations of MOFs for CO2 separation: opportunities and challenges, Frontiers in Materials, 5, 4 (2018). (impact factor 2.0)
18. Altintas, C., Erucar, I., Keskin, S. High-throughput computational screening of the MOF database for CH4/H2 separations, ACS Applied Materials & Interfaces, 10, 4, 3668, (2018). (impact factor 8.8)
17. Altintas, C., Avci, G., Daglar, H., Gulcay, E., Erucar, I., Keskin, S. Computer simulations of 4240 MOF membranes for H2/CH4 separations: insights into structure–performance relations, Journal of Materials Chemistry
A, 6, 14, 5836 (2018). (impact factor 11.3)
16. Sezer, G.G., Arıcı, M., Erucar, I., Yeşilel, O.Z., Özel, H.U., Gemici, B.T., Erer H. Zinc(II) and cadmium(II) coordination polymers containing phenylenediacetate and 4,4′-azobis(pyridine) ligands: Syntheses, structures, dye adsorption properties and molecular dynamics simulations, Journal of Solid State Chemistry, 255, 89 (2017).
(impact factor 2.2)
15. Sezer, G.G., Yeşilel, O.Z., Şahin, O., Arslanoğlu, H., Erucar, I. Facile synthesis of 2D Zn (II) coordination polymer and its crystal structure, selective removal of methylene blue and molecular simulation, Journal of Molecular Structure, 1143, 355 (2017). (impact factor 2.0)
14. Erucar, I., Keskin, S. Computational investigation of metal organic frameworks for storage and delivery of anticancer drugs, Journal of Materials Chemistry B, 5 (35), 7342 (2017). (impact factor 5.0)
13. Erucar, I., Keskin, S. Computational assessment of MOF membranes for CH4/H2 separations, Journal of Membrane Science, 514, 313 (2016). (impact factor 7.2)
12. Erucar, I., Keskin, S. Efficient storage of drug and cosmetic molecules in bio-compatible MOFs: A molecular simulation study, Industrial & Engineering Chemistry Research, 55(7), 1929 (2016). (impact factor 3.6)
11. Erucar, I., Keskin, S. Computational methods for MOF/polymer membranes, The Chemical Record, 16(2), 703 (2016). (impact factor 5.4)
10. Erucar, I., Keskin, S. Computational modeling of Bio-MOFs for CO2/CH4 separations, Chemical Engineering Science, 130, 120 (2015). (impact factor 3.9)
9. Erucar, I., Keskin, S. Molecular modeling of MOF-based mixed matrix membranes, Current Organic Chemistry, 18 (18), 2364 (2014). (impact factor 2.1)
8. Erucar, I., Manz, T., Keskin, S. Effects of electrostatic interactions on gas adsorption and permeability of MOF membranes, Molecular Simulation, 40, 557 (2014). (impact factor 1.0)
7. Erucar, I., Yilmaz, G., Keskin, S. Recent advances in metal organic framework-based mixed matrix membranes, Chemistry – An Asian Journal, 8, 1692 (2013). (impact factor 3.7)
6. Erucar, I., Keskin, S. High CO2 selectivity of an amine-functionalized metal organic framework in adsorptionbased and membrane-based gas separations, Industrial & Engineering Chemistry Research, 52(9), 3462 (2013). (impact factor 3.6)
5. Ulker, Z., Erucar, I., Keskin, S., Erkey, C. Novel nanostructured composites of silica aerogels with a metal organic framework, Microporous Mesoporous Materials,170, 352 (2013). (impact factor 4.3)
4. Erucar, I., Keskin, S. Computational screening of metal organic frameworks for mixed matrix membrane applications, Journal of Membrane Science, 407-408, 221 (2012). (impact factor 7.2)
3. Erucar, I., Keskin, S. Screening metal organic framework-based mixed matrix membranes for CO2/CH4 Separations, Industrial & Engineering Chemistry Research, 50(22), 12606 (2011). (impact factor 3.6)
2. Erucar, I., Keskin, S. Separation of CO2 mixtures using Zn(bdc)(ted)0.5 membranes and composites: A molecular simulation study, Journal of Physical Chemistry C, 15(28), 13637 (2011). (impact factor 4.2)
1. Atci, E., Erucar, I., Keskin, S. Adsorption and transport of CH4, CO2, H2 mixtures in a Bio-MOF material from molecular simulations, Journal of Physical Chemistry C, 115(14), 6833 (2011). (impact factor 4.2)