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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2023 | chlozolinate_CONF26_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1853.46753006; Eh | |||
 | 26-Jan-2023 | chlozolinate_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1853.46694047; Eh | |||
 | 26-Jan-2023 | dimethachlone_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1511.01567985; Eh | |||
 | 26-Jan-2023 | fenpiclonil_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1452.74391732; Eh | |||
 | 26-Jan-2023 | fenpiclonil_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1452.72284515; Eh | |||
 | 26-Jan-2023 | fenpiclonil_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1452.72171040; Eh | |||
 | 26-Jan-2023 | fludioxonil_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -920.62973405; Eh | |||
 | 26-Jan-2023 | fludioxonil_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -920.61030072; Eh | |||
 | 26-Jan-2023 | iprodione_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1813.76103534; Eh | |||
 | 26-Jan-2023 | iprodione_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1813.75463900; Eh |
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