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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Sep-2022 | trifloxystrobin_CONF27_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1483.57608973; Eh | |||
 | 27-Sep-2022 | metominostrobin_Z_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -954.54418942; Eh | |||
 | 27-Sep-2022 | enoxystrobin_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1667.45686423; Eh | |||
 | 27-Sep-2022 | trifloxystrobin_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1483.57940102; Eh | |||
 | 27-Sep-2022 | metominostrobin_Z_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -954.55074855; Eh | |||
 | 27-Sep-2022 | trifloxystrobin_CONF202_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1483.57928931; Eh | |||
 | 27-Sep-2022 | metominostrobin_Z_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -954.55082184; Eh | |||
 | 27-Sep-2022 | metominostrobin_Z_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -954.55020064; Eh | |||
 | 27-Sep-2022 | dimoxystrobin_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1072.50351446; Eh | |||
 | 27-Sep-2022 | dimoxystrobin_CONF39_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1072.50279585; Eh |
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- 5102 Orca