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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2023 | iprodione_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1813.75252711; Eh | |||
 | 26-Jan-2023 | procymidone_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1627.72549325; Eh | |||
 | 26-Jan-2023 | vinclozolin_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1663.64756611; Eh | |||
 | 26-Jan-2023 | vinclozolin_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1663.64812096; Eh | |||
 | 26-Jan-2023 | vinclozolin_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1663.64115822; Eh | |||
 | 26-Jan-2023 | vinclozolin_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1663.64234566; Eh | |||
 | 26-Jan-2023 | chlozolinate_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1853.45394677; Eh | |||
 | 26-Jan-2023 | chlozolinate_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1853.45219974; Eh | |||
 | 26-Jan-2023 | chlozolinate_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1853.45352064; Eh | |||
 | 26-Jan-2023 | chlozolinate_CONF26_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1853.45238114; Eh |
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