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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_CONF39_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.29802474; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.29996758; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF8_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.30113189; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF5_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.29869970; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.30142720; Eh | |||
 | 13-Mar-2025 | sulfentrazone_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2388.34443328; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF91_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.22648397; Eh | |||
 | 13-Mar-2025 | sulfentrazone_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2388.31614388; Eh | |||
 | 13-Mar-2025 | sulfentrazone_CONF15_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2388.31429315; Eh | |||
 | 13-Mar-2025 | saflufenacil_CONF82_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2511.22577588; Eh |
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