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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Oct-2022 | ametoctradin_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.50798081; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF224_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54527146; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF2130_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54327348; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF297_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54521806; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF1958_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54197783; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF947_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53516323; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF944_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53562943; Eh | |||
 | 7-Oct-2022 | amisulbrom_CONF23_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -4548.40186702; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1090_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.50993467; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1065_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.50982725; Eh |
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