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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_CONF16_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1483.57965965; Eh | |||
 | 27-Sep-2022 | dimoxystrobin_CONF38_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1072.50539441; Eh | |||
 | 27-Sep-2022 | trifloxystrobin_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1483.57791486; Eh | |||
 | 27-Sep-2022 | metominostrobin_Z_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -954.52596924; Eh | |||
 | 27-Sep-2022 | trifloxystrobin_CONF19_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1483.57936685; Eh | |||
 | 27-Sep-2022 | trifloxystrobin_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1483.57879017; Eh | |||
 | 27-Sep-2022 | metominostrobin_Z_CONF31_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -954.55004139; Eh | |||
 | 27-Sep-2022 | dimoxystrobin_CONF35_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1072.50386126; Eh | |||
 | 27-Sep-2022 | metominostrobin_Z_CONF30_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -954.52689134; Eh | |||
 | 27-Sep-2022 | metominostrobin_Z_CONF29_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -954.52682284; Eh |
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- 5102 Orca