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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Sep-2022 | metominostrobin_Z_CONF27_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -954.52665505; Eh | |||
 | 27-Sep-2022 | metominostrobin_Z_CONF26_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -954.52633278; Eh | |||
 | 27-Sep-2022 | trifloxystrobin_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1483.57879833; Eh | |||
 | 27-Sep-2022 | trifloxystrobin_CONF114_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1483.57782065; Eh | |||
 | 27-Sep-2022 | trifloxystrobin_CONF72_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1483.55521534; Eh | |||
 | 27-Sep-2022 | dimoxystrobin_CONF17_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1072.50255906; Eh | |||
 | 27-Sep-2022 | trifloxystrobin_CONF65_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1483.55439890; Eh | |||
 | 27-Sep-2022 | trifloxystrobin_CONF64_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1483.55431441; Eh | |||
 | 27-Sep-2022 | trifloxystrobin_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1483.55638751; Eh | |||
 | 27-Sep-2022 | metominostrobin_E_CONF26_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -954.54620395; Eh |
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- 5102 Orca