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Erkartal, M., Erkilic, U., Tam, B., Usta, H., Yazaydin, O., Hupp, J. T., . . . Sen, U. (2017). From 2-methylimidazole to 1,2,3-triazole: a topological transformation of ZIF-8 and ZIF-67 by post-synthetic modification. Chem. Commun.. doi:10.1039/C6CC08746A
Loganathan, N., Yazaydin, A. O., Bowers, G. M., Kalinichev, A. G., & Kirkpatrick, R. J. (2016). Cation and Water Structure, Dynamics, and Energetics in Smectite Clays: A Molecular Dynamics Study of Ca-Hectorite. JOURNAL OF PHYSICAL CHEMISTRY C, 120 (23), 12429-12439. doi:10.1021/acs.jpcc.6b00230
Liao, J., Yazaydin, A. O., Yang, S., Li, F., & Ding, L. (2016). Molecular simulation studies of hydrogen enriched methane (HEM) storage in Covalent Organic Frameworks. MICROPOROUS AND MESOPOROUS MATERIALS, 231, 138-146. doi:10.1016/j.micromeso.2016.05.030
Loganathan, N., Yazaydin, A. O., Bowers, G. M., Kalinichev, A. G., & Kirkpatrick, R. J. (2016). Structure, Energetics, and Dynamics of Cs+ and H2O in Hectorite: Molecular Dynamics Simulations with an Unconstrained Substrate Surface. JOURNAL OF PHYSICAL CHEMISTRY C, 120 (19), 10298-10310. doi:10.1021/acs.jpcc.6b01016
Reddy, U. V., Bowers, G. M., Loganathan, N., Bowden, M., Yazaydin, A. O., & Kirkpatrick, R. J. (2016). Water Structure and Dynamics in Smectites: X-ray Diffraction and H-2 NMR Spectroscopy of Mg-, Ca-, Sr-, Na-, Cs-, and Pb-Hectorite. JOURNAL OF PHYSICAL CHEMISTRY C, 120 (16), 8863-8876. doi:10.1021/acs.jpcc.6b03431
Yazaydin, A. O., Bowers, G. M., & Kirkpatrick, R. J. (2015). Molecular dynamics modeling of carbon dioxide, water and natural organic matter in Na-hectorite. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 17 (36), 23356-23367. doi:10.1039/c5cp03552j
Kirkpatrick, R. J., Kalinichev, A. G., Bowers, G. M., Yazaydin, A. O., Krishnan, M., Saharay, M., & Morrow, C. P. (2015). NMR and computational molecular modeling studies of mineral surfaces and interlayer galleries: A review. AMERICAN MINERALOGIST, 100 (7), 1341-1354.
Yu, D., Yazaydin, A. O., Lane, J. R., Dietzel, P. D. C., & Snurr, R. Q. (2013). A combined experimental and quantum chemical study of CO2 adsorption in the metal–organic framework CPO-27 with different metals. Chemical Science, 4 (9), 3544. doi:10.1039/c3sc51319j
McEwen, J., Hayman, J. -. D., & Ozgur Yazaydin, A. (2013). A comparative study of CO2, CH4 and N2 adsorption in ZIF-8, Zeolite-13X and BPL activated carbon. Chemical Physics, 412, 72-76. doi:10.1016/j.chemphys.2012.12.012
Saharay, M., Yazaydin, A. O., & Kirkpatrick, R. J. (2013). Dehydration-Induced Amorphous Phases of Calcium Carbonate. The Journal of Physical Chemistry B, 117 (12), 3328-3336. doi:10.1021/jp308353t
Ding, L., & Yazaydin, A. O. (2013). Hydrogen and methane storage in ultrahigh surface area Metal–Organic Frameworks. Microporous and Mesoporous Materials, 182, 185-190. doi:10.1016/j.micromeso.2013.08.048
Morrow, C. P., Yazaydin, A. Ö., Krishnan, M., Bowers, G. M., Kalinichev, A. G., & Kirkpatrick, R. J. (2013). Structure, Energetics, and Dynamics of Smectite Clay Interlayer Hydration: Molecular Dynamics and Metadynamics Investigation of Na-Hectorite. The Journal of Physical Chemistry C, 117 (10), 5172-5187. doi:10.1021/jp312286g
Boztas, A. O., Karakuzu, O., Galante, G., Ugur, Z., Kocabas, F., Altuntas, C. Z., & Yazaydin, A. O. (2013). Synergistic Interaction of Paclitaxel and Curcumin with Cyclodextrin Polymer Complexation in Human Cancer Cells. Molecular Pharmaceutics, 10 (7), 2676-2683. doi:10.1021/mp400101k
Ding, L., & Yazaydin, A. O. (2013). The effect of SO2 on CO2 capture in zeolitic imidazolate frameworks. Physical Chemistry Chemical Physics, 15 (28), 11856. doi:10.1039/c3cp51003d
Dubbeldam, D., Krishna, R., Calero, S., & Yazaydın, A. Ö. (2012). Computer-Assisted Screening of Ordered Crystalline Nanoporous Adsorbents for Separation of Alkane Isomers. Angewandte Chemie International Edition, 51 (47), 11867-11871. doi:10.1002/anie.201205040
Ding, L., & Yazaydin, A. Ö. (2012). How Well Do Metal–Organic Frameworks Tolerate Flue Gas Impurities?. The Journal of Physical Chemistry C, 116 (43), 22987-22991. doi:10.1021/jp308717y
Dubbeldam, D., Krishna, R., Calero, S., & Yazaydin, A. O. (2012). In Silico Screening of Ordered Crystalline Nanoporous Adsorbents for Separation of Alkane Isomers. Angewandte Chemie International Edition (51), 11867-11871.
Farha, O. K., Eryazici, I., Jeong, N. C., Hauser, B. G., Wilmer, C. E., Sarjeant, A. A., . . . Hupp, J. T. (2012). Metal–Organic Framework Materials with Ultrahigh Surface Areas: Is the Sky the Limit?. Journal of the American Chemical Society, 134 (36), 15016-15021. doi:10.1021/ja3055639
Dickey, A. N., Yazaydın, A. Ö., Willis, R. R., & Snurr, R. Q. (2012). Screening CO 2 /N 2 selectivity in metal-organic frameworks using Monte Carlo simulations and ideal adsorbed solution theory. The Canadian Journal of Chemical Engineering, 90 (4), 825-832. doi:10.1002/cjce.20700
Singer, J. W., Yazaydin, A. Ö., Kirkpatrick, R. J., & Bowers, G. M. (2012). Structure and Transformation of Amorphous Calcium Carbonate: A Solid-State 43 Ca NMR and Computational Molecular Dynamics Investigation. Chemistry of Materials, 24 (10), 1828-1836. doi:10.1021/cm300389q
Eryazici, I., Farha, O. K., Hauser, B. G., Yazaydın, A. Ö., Sarjeant, A. A., Nguyen, S. T., & Hupp, J. T. (2012). Two Large-Pore Metal–Organic Frameworks Derived from a Single Polytopic Strut. Crystal Growth & Design, 12 (3), 1075-1080. doi:10.1021/cg201520z
Farha, O. K., Özgür Yazaydın, A., Eryazici, I., Malliakas, C. D., Hauser, B. G., Kanatzidis, M. G., . . . Hupp, J. T. (2010). De novo synthesis of a metal–organic framework material featuring ultrahigh surface area and gas storage capacities. Nature Chemistry, 2 (11), 944-948. doi:10.1038/nchem.834
Bae, Y. -. S., Yazaydın, A. O., & Snurr, R. Q. (2010). Evaluation of the BET Method for Determining Surface Areas of MOFs and Zeolites that Contain Ultra-Micropores. Langmuir, 26 (8), 5475-5483. doi:10.1021/la100449z
Furukawa, H., Ko, N., Go, Y. B., Aratani, N., Choi, S. B., Choi, E., . . . Yaghi, O. M. (2010). Ultrahigh Porosity in Metal-Organic Frameworks. Science, 329 (5990), 424-428. doi:10.1126/science.1192160
Yazaydin, A. Ö., & Thompson, R. W. (2009). Computing Adsorbate/Adsorbent Binding Energies and Henry's Law Constants from Molecular Simulations. Environmental Engineering Science, 26 (2), 297-304. doi:10.1089/ees.2008.0025