Supramolecular Recognition in Crystalline Nanocavities through Monte Carlo and Voronoi Network Algorithms
© 2020 American Chemical Society. All rights reserved. Computational screening of templating molecules enables the discovery of new synthesis routes for zeolites. Despite decades of work in molecular modeling of organic structure-directing agents (OSDAs), the development and benchmarking of algorith...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
American Chemical Society (ACS)
2022
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| Online Access: | https://hdl.handle.net/1721.1/142529 |