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    <description>Title: TCEP-NADP_Final_Adduct_
Authors: Mai, Timothy
Description: B3LYP, pc-1, 3H2O, GD3BJ, COSMO</description>
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Authors: Mai, Timothy
Description: B3LYP, pc-1, GD3BJ, 1H2O, COSMO</description>
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    <description>Title: NADP_opt+freq
Authors: Mai, Timothy
Description: B3LYP, pc-1, GD3BJ, 2 H2O, COSMO</description>
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Authors: Mai, Timothy
Description: B3LYP, pc-1, 3H2O, GD3BJ</description>
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