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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_CONF40_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.09198947; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF43_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.09208460; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF817_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80604549; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF815_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80662449; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF813_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80668320; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF725_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80438021; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF723_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80651601; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF72_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80496008; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF686_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80539008; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF688_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80678535; Eh |
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