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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 13-Mar-2025 | epyrifenacil_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.32018871; Eh | ||||
| 13-Mar-2025 | epyrifenacil_CONF24_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.28904689; Eh | ||||
| 13-Mar-2025 | epyrifenacil_CONF21_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.29299928; Eh | ||||
| 13-Mar-2025 | epyrifenacil_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.29294235; Eh | ||||
| 13-Mar-2025 | epyrifenacil_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.29199432; Eh | ||||
| 13-Mar-2025 | epyrifenacil_CONF26_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.29257978; Eh | ||||
| 13-Mar-2025 | epyrifenacil_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.29272479; Eh | ||||
| 13-Mar-2025 | cinidon-ethyl_CONF27_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2010.47693126; Eh | ||||
| 13-Mar-2025 | cinidon-ethyl_CONF11_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2010.47716579; Eh | ||||
| 13-Mar-2025 | cinidon-ethyl_CONF13_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2010.47584929; Eh |
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