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    <description>Title: amitrole_CONF1_gas
Authors: Pulgar Rubio, Antonio
Description: Gaussian set of calculations with B3LYP of amitrole CONF1 in gas</description>
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    <description>Title: amitrole_CONF1_octanol
Authors: Pulgar Rubio, Antonio
Description: Gaussian set of calculations with B3LYP of amitrole CONF1 in octanol</description>
    <dc:date>2025-03-18T14:16:00Z</dc:date>
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    <description>Title: amitrole_CONF1_water
Authors: Pulgar Rubio, Antonio
Description: Gaussian set of calculations with B3LYP of amitrole CONF1 in water</description>
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    <description>Title: amitrole_CONF1_gas
Authors: Pulgar Rubio, Antonio
Description: ORCA wb97x-d3 def2-TZVPP single point calculation of amitrole CONF1 in gas</description>
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