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High-Throughput Screening Approach for Nanoporous Materials Genome Using Topological Data Analysis: Application to Zeolites
[Image: see text] The materials genome initiative has led to the creation of a large (over a million) database of different classes of nanoporous materials. As the number of hypothetical materials that can, in principle, be experimentally synthesized is infinite, a bottleneck in the use of these dat...
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| Vydáno v: | J Chem Theory Comput |
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| Hlavní autoři: | , , , , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
American
Chemical Society
2018
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| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6096454/ https://ncbi.nlm.nih.gov/pubmed/29986145 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.8b00253 |
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