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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Mar-2025 | tiafenacil_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.29984468; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.33497846; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.33464574; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF9_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.30109359; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF41_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.29799926; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF15_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.30134533; Eh | |||
 | 13-Mar-2025 | sulfentrazone_CONF9_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2388.34092491; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.30090228; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.33499846; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.29901758; Eh |
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