<?xml version="1.0" encoding="UTF-8"?>
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  <title>Browse Collection: DFT Calculations</title>
  <link rel="alternate" href="https://iochem-bd.iciq.es/browse/handle/100/26181" />
  <subtitle>DFT Calculations</subtitle>
  <id>https://iochem-bd.iciq.es/browse/handle/100/26181</id>
  <updated>2026-04-08T19:00:05Z</updated>
  <dc:date>2026-04-08T19:00:05Z</dc:date>
  <entry>
    <title>Mo3O10_0H_BP</title>
    <link rel="alternate" href="https://iochem-bd.iciq.es/browse/handle/100/26358" />
    <author>
      <name>Petrus, Enric</name>
    </author>
    <id>https://iochem-bd.iciq.es/browse/handle/100/26358</id>
    <updated>2020-07-30T15:00:20Z</updated>
    <published>2020-07-27T11:12:13Z</published>
    <summary type="text">Title: Mo3O10_0H_BP
Authors: Petrus, Enric
Description: Mo3O10-0H_BP</summary>
    <dc:date>2020-07-27T11:12:13Z</dc:date>
  </entry>
  <entry>
    <title>2H2O_PBE0</title>
    <link rel="alternate" href="https://iochem-bd.iciq.es/browse/handle/100/26357" />
    <author>
      <name>Petrus, Enric</name>
    </author>
    <id>https://iochem-bd.iciq.es/browse/handle/100/26357</id>
    <updated>2020-07-30T15:00:21Z</updated>
    <published>2020-07-24T12:00:51Z</published>
    <summary type="text">Title: 2H2O_PBE0
Authors: Petrus, Enric
Description: 2H2O_PBE0</summary>
    <dc:date>2020-07-24T12:00:51Z</dc:date>
  </entry>
  <entry>
    <title>H2O_PBE0</title>
    <link rel="alternate" href="https://iochem-bd.iciq.es/browse/handle/100/26356" />
    <author>
      <name>Petrus, Enric</name>
    </author>
    <id>https://iochem-bd.iciq.es/browse/handle/100/26356</id>
    <updated>2020-07-30T15:00:21Z</updated>
    <published>2020-07-24T12:00:48Z</published>
    <summary type="text">Title: H2O_PBE0
Authors: Petrus, Enric
Description: H2O_PBE0</summary>
    <dc:date>2020-07-24T12:00:48Z</dc:date>
  </entry>
  <entry>
    <title>H3O_PBE0</title>
    <link rel="alternate" href="https://iochem-bd.iciq.es/browse/handle/100/26355" />
    <author>
      <name>Petrus, Enric</name>
    </author>
    <id>https://iochem-bd.iciq.es/browse/handle/100/26355</id>
    <updated>2020-07-30T15:00:21Z</updated>
    <published>2020-07-24T12:00:45Z</published>
    <summary type="text">Title: H3O_PBE0
Authors: Petrus, Enric
Description: H3O_PBE0</summary>
    <dc:date>2020-07-24T12:00:45Z</dc:date>
  </entry>
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