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Modelling crystalline microporous materials

  • Michael Fischer EMAIL logo and Robert G. Bell
Published/Copyright: July 2, 2019
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Zeitschrift für Kristallographie - Crystalline Materials
From the journal Zeitschrift für Kristallographie - Crystalline Materials Volume 234 Issue 7-8

Published Online: 2019-07-02
Published in Print: 2019-07-26

© 2019 Walter de Gruyter GmbH, Berlin/Boston

Articles in the same Issue

  1. Frontmatter
  2. Graphical Synopsis
  3. Modelling crystalline microporous materials
  4. Natural tilings and free space in zeolites: models, statistics, correlations, prediction
  5. High-throughput assessment of hypothetical zeolite materials for their synthesizeability and industrial deployability
  6. Computational screening of structure directing agents for the synthesis of zeolites. A simplified model
  7. The steric influence of extra-framework cations on framework flexibility: an LTA case study
  8. A first principle evaluation of the adsorption mechanism and stability of volatile organic compounds into NaY zeolite
  9. A DFT study on the interaction of small molecules with alkali metal ion-exchanged ETS-10
  10. Water in zeolite L and its MOF mimic
  11. Phonons in deformable microporous crystalline solids
  12. The impact of lattice vibrations on the macroscopic breathing behavior of MIL-53(Al)
  13. Understanding the effect of host flexibility on the adsorption of CH4, CO2 and SF6 in porous organic cages
https://doi.org/10.1515/zkri-2019-2003

Articles in the same Issue

  1. Frontmatter
  2. Graphical Synopsis
  3. Modelling crystalline microporous materials
  4. Natural tilings and free space in zeolites: models, statistics, correlations, prediction
  5. High-throughput assessment of hypothetical zeolite materials for their synthesizeability and industrial deployability
  6. Computational screening of structure directing agents for the synthesis of zeolites. A simplified model
  7. The steric influence of extra-framework cations on framework flexibility: an LTA case study
  8. A first principle evaluation of the adsorption mechanism and stability of volatile organic compounds into NaY zeolite
  9. A DFT study on the interaction of small molecules with alkali metal ion-exchanged ETS-10
  10. Water in zeolite L and its MOF mimic
  11. Phonons in deformable microporous crystalline solids
  12. The impact of lattice vibrations on the macroscopic breathing behavior of MIL-53(Al)
  13. Understanding the effect of host flexibility on the adsorption of CH4, CO2 and SF6 in porous organic cages
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