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Original Articles

Molecular simulations of adsorption and diffusion of RDX in IRMOF-1

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Pages 910-919 | Received 25 Nov 2008, Accepted 06 Feb 2009, Published online: 14 Aug 2009

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Li-Ming Yang, Ponniah Ravindran, Ponniah Vajeeston & Mats Tilset. (2012) Ab initio investigations on the crystal structure, formation enthalpy, electronic structure, chemical bonding, and optical properties of experimentally synthesized isoreticular metal–organic framework-10 and its analogues: M-IRMOF-10 (M = Zn, Cd, Be, Mg, Ca, Sr and Ba). RSC Adv. 2:4, pages 1618-1631.
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A. Corma, H. García & F. X. Llabrés i Xamena. (2010) Engineering Metal Organic Frameworks for Heterogeneous Catalysis. Chemical Reviews 110:8, pages 4606-4655.
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Matthew T. Luebbers, Tianjiao Wu, Lingjuan Shen & Richard I. Masel. (2010) Trends in the Adsorption of Volatile Organic Compounds in a Large-Pore Metal−Organic Framework, IRMOF-1. Langmuir 26:13, pages 11319-11329.
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Khorgolkhuu Odbadrakh, James P. Lewis & Donald M. Nicholson. (2010) Interaction of the Explosive Molecules RDX and TATP with IRMOF-8. The Journal of Physical Chemistry C 114:17, pages 7535-7540.
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Khorgolkhuu Odbadrakh, James P. Lewis, Donald M. Nicholson, Tetyana Petrova, Andrea Michalkova & Jerzy Leszczynski. (2010) Interactions of Cyclotrimethylene Trinitramine (RDX) with Metal−Organic Framework IRMOF-1. The Journal of Physical Chemistry C 114:9, pages 3732-3736.
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Jeffery A. Greathouse, Nathan W. Ockwig, Louise J. Criscenti, T. R. Guilinger, Phil Pohl & Mark D. Allendorf. (2010) Computational screening of metal–organic frameworks for large-molecule chemical sensing. Physical Chemistry Chemical Physics 12:39, pages 12621.
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