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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Mar-2025 | carfentrazone-ethyl_CONF310_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.09021473; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF240_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.09270457; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF242_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.09162497; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF246_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.09268947; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF197_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.08955962; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF198_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.09332446; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF833_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80621827; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF731_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80484267; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF734_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80596084; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF726_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80512685; Eh |
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