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Items where Author is "Yazaydin, A"

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Saharay, M, Yazaydin, AO and Kirkpatrick, RJ (2013) Dehydration-induced amorphous phases of calcium carbonate. J Phys Chem B, 117 (12). pp. 3328-3336.

Morrow, CP, Yazaydin, AO, Krishnan, M, Bowers, GM, Kalinichev, AG and Kirkpatrick, RJ (2013) Structure, Energetics, and Dynamics of Smectite Clay Interlayer Hydration: Molecular Dynamics and Metadynamics Investigation of Na-Hectorite JOURNAL OF PHYSICAL CHEMISTRY C, 117 (10). pp. 5172-5187.

McEwen, J, Hayman, J-D and Yazaydin, AO (2013) A comparative study of CO2, CH4 and N-2 adsorption in ZIF-8, Zeolite-13X and BPL activated carbon CHEMICAL PHYSICS, 412. pp. 72-76.

Ding, L and Yazaydin, AO (2012) How Well Do Metal-Organic Frameworks Tolerate Flue Gas Impurities? JOURNAL OF PHYSICAL CHEMISTRY C, 116 (43). pp. 22987-22991.

Singer, JW, Yazaydin, AO, Kirkpatrick, RJ and Bowers, GM (2012) Structure and Transformation of Amorphous Calcium Carbonate: A Solid-State Ca-43 NMR and Computational Molecular Dynamics Investigation CHEMISTRY OF MATERIALS, 24 (10). pp. 1828-1836.

Eryazici, I, Farha, OK, Hauser, BG, Yazaydin, AO, Sarjeant, AA, Nguyen, ST and Hupp, JT (2012) Two Large-Pore Metal-Organic Frameworks Derived from a Single Polytopic Strut CRYSTAL GROWTH & DESIGN, 12 (3). pp. 1075-1080.

Dickey, AN, Yazaydin, AO, Willis, RR and Snurr, RQ (2011) Screening CO2/N2 selectivity in metal-organic frameworks using Monte Carlo simulations and ideal adsorbed solution theory Canadian Journal of Chemical Engineering, 90 (4). pp. 825-832.

Farha, OK, Yazaydin, AO, Eryazici, I, Malliakas, CD, Hauser, BG, Kanatzidis, MG, Nguyen, ST, Snurr, RQ and Hupp, JT (2010) De novo synthesis of a metal-organic framework material featuring ultrahigh surface area and gas storage capacities NATURE CHEMISTRY, 2 (11). pp. 944-948.

Furukawa, H, Ko, N, Go, YB, Aratani, N, Choi, SB, Choi, E, Yazaydin, AO, Snurr, RQ, O'Keeffe, M, Kim, J and Yaghi, OM (2010) Ultrahigh Porosity in Metal-Organic Frameworks SCIENCE, 329 (5990). pp. 424-428.

Bae, Y-S, Yazaydin, AO and Snurr, RQ (2010) Evaluation of the BET Method for Determining Surface Areas of MOFs and Zeolites that Contain Ultra-Micropores LANGMUIR, 26 (8). pp. 5475-5483.

Yazaydin, AO, Snurr, RQ, Park, T-H, Koh, K, Liu, J, LeVan, MD, Benin, AI, Jakubczak, P, Lanuza, M, Galloway, DB, Low, JJ and Willis, RR (2009) Screening of Metal-Organic Frameworks for Carbon Dioxide Capture from Flue Gas Using a Combined Experimental and Modeling Approach JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 131 (51). 18198-+.

Yazaydin, AO and Thompson, RW (2009) Molecular simulation of water adsorption in silicalite: Effect of silanol groups and different cations MICROPOROUS AND MESOPOROUS MATERIALS, 123 (1-3). pp. 169-176.

Yazaydin, AO, Benin, AI, Faheem, SA, Jakubczak, P, Low, JJ, Willis, RR and Snurr, RQ (2009) Enhanced CO2 Adsorption in Metal-Organic Frameworks via Occupation of Open-Metal Sites by Coordinated Water Molecules CHEMISTRY OF MATERIALS, 21 (8). pp. 1425-1430.

Yazaydin, AO and Thompson, RW (2009) Computing Adsorbate/Adsorbent Binding Energies and Henry's Law Constants from Molecular Simulations ENVIRONMENTAL ENGINEERING SCIENCE, 26 (2). pp. 297-303.

Yazaydin, AO and Martin, MG (2007) Bubble point pressure estimates from Gibbs ensemble simulations FLUID PHASE EQUILIBRIA, 260 (2). pp. 195-198.

Kotdawala, RR, Yazaydin, AO, Kazantzis, N and Thompson, RW (2007) A molecular simulation approach to the study of adsorption of hydrogen cyanide and methyl ethyl ketone in silicalite, mordenite and zeolite beta structures MOLECULAR SIMULATION, 33 (9-10). pp. 843-850.

Yazaydin, AO and Thompson, RW (2006) Molecular simulation of the adsorption of MTBE in silicalite, mordenite, and zeolite beta JOURNAL OF PHYSICAL CHEMISTRY B, 110 (29). pp. 14458-14462.

Yazaydin, AO and Thompson, RW (2006) Simulating the vapour-liquid equilibria of 1,4-dioxane MOLECULAR SIMULATION, 32 (8). pp. 657-662.

Conference or Workshop Item

Bae, Y-S, Wilmer, CE, Yazaydin, AO and Snurr, RQ (2011) Molecular modeling and systematic evaluation of metal-organic frameworks for CO2 capture In: 242nd National Meeting of the American-Chemical-Society (ACS), 2011-08-28 - 2011-09-01, Denver, CO.

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