Published August 27, 2021 | Version v1
Dataset Open

Computational results for the publication "Evolution of water structures in metal-organic frameworks for improved atmospheric water harvesting"

  • 1. University of California, Berkeley
  • 2. University of Minnesota
  • 3. Humboldt-Universität zu Berlin
  • 4. The University of Chicago

Description

This upload contains the computationally obtained atomic coordinates for MOF-303 and MOF-333 at different water loadings.

Files

Files (224.6 kB)

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md5:e456c9ade95daadb563ef70525d9b943
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md5:7d7c24db139290e6dd6aa5f041ab1a3a
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md5:0ed165b03805d4a4e3df52c2e1a7042b
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md5:ecf3b8c5382bb7d50168a6e05eb620cf
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md5:029e54d1a8c3cc205ce431c11c73913f
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md5:2f4ad9829455a1d7b3a71d9b86d15d53
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md5:6379246f6bca449e7e33b37583e5e39a
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md5:62aae150e6c4283f70ad5dc714c9adef
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md5:55026ddddc8db118c2f12ac18a5a6074
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md5:586f45ad88c3779dc82b980f8a306514
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md5:c8f2c018050de117f6357c4d3794328b
10.8 kB Download
md5:ecf3b8c5382bb7d50168a6e05eb620cf
11.7 kB Download
md5:029e54d1a8c3cc205ce431c11c73913f
12.6 kB Download
md5:65e5d4de15f124cf538fe62b2fab47fc
10.8 kB Download
md5:7d7c24db139290e6dd6aa5f041ab1a3a
11.7 kB Download
md5:0ed165b03805d4a4e3df52c2e1a7042b
12.6 kB Download
md5:e456c9ade95daadb563ef70525d9b943
10.8 kB Download

Additional details

Related works

Is supplement to
10.1126/science.abj0890 (DOI)