<?xml version="1.0" encoding="UTF-8"?>
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  <title>Browse Collection: pNMR_Xbond</title>
  <link rel="alternate" href="https://iochem-bd.bsc.es/browse/handle/100/479177" />
  <subtitle>pNMR_Xbond</subtitle>
  <id>https://iochem-bd.bsc.es/browse/handle/100/479177</id>
  <updated>2026-04-07T13:41:02Z</updated>
  <dc:date>2026-04-07T13:41:02Z</dc:date>
  <entry>
    <title>2Br_2c_reduced_coupling_constant</title>
    <link rel="alternate" href="https://iochem-bd.bsc.es/browse/handle/100/479197" />
    <author>
      <name>Sasikumar, Anagha</name>
    </author>
    <id>https://iochem-bd.bsc.es/browse/handle/100/479197</id>
    <updated>2025-10-08T11:36:08Z</updated>
    <published>2025-10-08T13:33:34Z</published>
    <summary type="text">Title: 2Br_2c_reduced_coupling_constant
Authors: Sasikumar, Anagha
Abstract: Reduced coupling constant calculation Pd(acac)2@C6F4Br2 at SO-ZORA/PBE50/TZ2P</summary>
    <dc:date>2025-10-08T13:33:34Z</dc:date>
  </entry>
  <entry>
    <title>2Br_2c_NMR</title>
    <link rel="alternate" href="https://iochem-bd.bsc.es/browse/handle/100/479196" />
    <author>
      <name>Sasikumar, Anagha</name>
    </author>
    <id>https://iochem-bd.bsc.es/browse/handle/100/479196</id>
    <updated>2025-10-08T11:36:09Z</updated>
    <published>2025-10-08T13:33:35Z</published>
    <summary type="text">Title: 2Br_2c_NMR
Authors: Sasikumar, Anagha
Abstract: NMR calculation Pd(acac)2@C6F4Br2@Pd(acac)2 at SO-ZORA/PBE50/TZ2P</summary>
    <dc:date>2025-10-08T13:33:35Z</dc:date>
  </entry>
  <entry>
    <title>2Br_1c_nmr</title>
    <link rel="alternate" href="https://iochem-bd.bsc.es/browse/handle/100/479195" />
    <author>
      <name>Sasikumar, Anagha</name>
    </author>
    <id>https://iochem-bd.bsc.es/browse/handle/100/479195</id>
    <updated>2025-10-08T11:36:09Z</updated>
    <published>2025-10-08T13:33:35Z</published>
    <summary type="text">Title: 2Br_1c_nmr
Authors: Sasikumar, Anagha
Abstract: NMR calculation Pd(acac)2@C6F4Br2@Pd(acac)2 at ZORA/PBE50/TZ2P</summary>
    <dc:date>2025-10-08T13:33:35Z</dc:date>
  </entry>
  <entry>
    <title>2Br_opt</title>
    <link rel="alternate" href="https://iochem-bd.bsc.es/browse/handle/100/479194" />
    <author>
      <name>Sasikumar, Anagha</name>
    </author>
    <id>https://iochem-bd.bsc.es/browse/handle/100/479194</id>
    <updated>2025-10-08T11:36:09Z</updated>
    <published>2025-10-08T13:33:35Z</published>
    <summary type="text">Title: 2Br_opt
Authors: Sasikumar, Anagha
Abstract: Geometry optimization Pd(acac)2@C6F4I2@Pd(acac)2 at ZORA/PBE0/TZ2P</summary>
    <dc:date>2025-10-08T13:33:35Z</dc:date>
  </entry>
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