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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Oct-2022 | ametoctradin_CONF1958_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54197783; Eh | |||
 | 15-Dec-2022 | piperalin_CONF34_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.07645282; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF944_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53562943; Eh | |||
 | 20-Sep-2022 | fluopyram_CONF92_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1860.55174848; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF1719_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54281935; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF1724_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54355371; Eh | |||
 | 23-Dec-2022 | piperalin_CONF26_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.08834161; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF789_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53147838; Eh | |||
 | 17-Jan-2023 | eptc_CONF44_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -882.67493860; Eh | |||
 | 15-Dec-2022 | piperalin_CONF40_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.07650272; Eh |
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