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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_CONF1026_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51003962; Eh | |||
 | 27-Sep-2022 | enoxystrobin_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1667.45686423; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42772997; Eh | |||
 | 25-Apr-2023 | flumiclorac-pentyl_CONF340_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1805.21611399; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF278_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54504440; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF279_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54570526; Eh | |||
 | 7-Oct-2022 | amisulbrom_CONF130_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -4548.40140416; Eh | |||
 | 23-Dec-2022 | piperalin_CONF284_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.08890255; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1084_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51235786; Eh | |||
 | 23-Dec-2022 | piperalin_CONF282_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1748.08934556; Eh |
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- 71027 Single point