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  <title>Browse Collection: Computational data associated with the SPS vs SPVP Li-S battery lithiation study</title>
  <link rel="alternate" href="https://iochem-bd.bsc.es/browse/handle/100/485762" />
  <subtitle>Computational data associated with the SPS vs SPVP Li-S battery lithiation study</subtitle>
  <id>https://iochem-bd.bsc.es/browse/handle/100/485762</id>
  <updated>2026-04-07T21:30:46Z</updated>
  <dc:date>2026-04-07T21:30:46Z</dc:date>
  <entry>
    <title>/SPS_EXT_PAH2 SPS_2Li+_2e-_4Li2S_sp</title>
    <link rel="alternate" href="https://iochem-bd.bsc.es/browse/handle/100/486059" />
    <author>
      <name>Escayola Gordils, Sílvia</name>
    </author>
    <id>https://iochem-bd.bsc.es/browse/handle/100/486059</id>
    <updated>2026-03-11T15:37:25Z</updated>
    <published>2026-02-06T11:46:46Z</published>
    <summary type="text">Title: /SPS_EXT_PAH2 SPS_2Li+_2e-_4Li2S_sp
Authors: Escayola Gordils, Sílvia
Abstract: Chemshell-Turbomole-SinglePoint</summary>
    <dc:date>2026-02-06T11:46:46Z</dc:date>
  </entry>
  <entry>
    <title>/SPS_EXT_PAH2 SPS_2Li+_2e-_4Li2S_opt</title>
    <link rel="alternate" href="https://iochem-bd.bsc.es/browse/handle/100/486058" />
    <author>
      <name>Escayola Gordils, Sílvia</name>
    </author>
    <id>https://iochem-bd.bsc.es/browse/handle/100/486058</id>
    <updated>2026-03-11T15:37:25Z</updated>
    <published>2026-02-06T11:46:46Z</published>
    <summary type="text">Title: /SPS_EXT_PAH2 SPS_2Li+_2e-_4Li2S_opt
Authors: Escayola Gordils, Sílvia
Abstract: Chemshell-Turbomole-Optimization</summary>
    <dc:date>2026-02-06T11:46:46Z</dc:date>
  </entry>
  <entry>
    <title>/SPS_EXT_PAH2 SPS_10Li+_10e-_opt</title>
    <link rel="alternate" href="https://iochem-bd.bsc.es/browse/handle/100/486056" />
    <author>
      <name>Escayola Gordils, Sílvia</name>
    </author>
    <id>https://iochem-bd.bsc.es/browse/handle/100/486056</id>
    <updated>2026-03-11T15:37:25Z</updated>
    <published>2026-02-06T11:46:47Z</published>
    <summary type="text">Title: /SPS_EXT_PAH2 SPS_10Li+_10e-_opt
Authors: Escayola Gordils, Sílvia
Abstract: Chemshell-Turbomole-Optimization</summary>
    <dc:date>2026-02-06T11:46:47Z</dc:date>
  </entry>
  <entry>
    <title>/SPS_EXT_PAH2 SPS_10Li+_10e-_sp</title>
    <link rel="alternate" href="https://iochem-bd.bsc.es/browse/handle/100/486057" />
    <author>
      <name>Escayola Gordils, Sílvia</name>
    </author>
    <id>https://iochem-bd.bsc.es/browse/handle/100/486057</id>
    <updated>2026-03-11T15:37:25Z</updated>
    <published>2026-02-06T11:46:46Z</published>
    <summary type="text">Title: /SPS_EXT_PAH2 SPS_10Li+_10e-_sp
Authors: Escayola Gordils, Sílvia
Abstract: Chemshell-Turbomole-SinglePoint</summary>
    <dc:date>2026-02-06T11:46:46Z</dc:date>
  </entry>
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