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Articles

Enhanced replica exchange reactive Monte Carlo simulations for constructing zeolite frameworks

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Pages 453-462 | Received 17 Jul 2017, Accepted 24 Oct 2017, Published online: 21 Nov 2017

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Miguel Jorge & Henry Bock. (2018) Engineering self-assembly. Molecular Simulation 44:6, pages 433-434.
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Cecilia Bores, Song Luo, J. David Lonergan, Eden Richardson, Alexander Engstrom, Wei Fan & Scott M. Auerbach. (2022) Monte carlo simulations and experiments of all-silica zeolite LTA assembly combining structure directing agents that match cage sizes. Physical Chemistry Chemical Physics 24:1, pages 142-148.
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Abhinaw Kumar, Andrew H. Nguyen, Rita Okumu, Tricia D. Shepherd & Valeria Molinero. (2018) Could Mesophases Play a Role in the Nucleation and Polymorph Selection of Zeolites?. Journal of the American Chemical Society 140:47, pages 16071-16086.
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Cecilia Bores, Scott M. Auerbach & Peter A. Monson. (2018) Modeling the Role of Excluded Volume in Zeolite Structure Direction. The Journal of Physical Chemistry Letters 9:13, pages 3703-3707.
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