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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_CONF226_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.08994220; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF203_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.08967576; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF213_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.08687890; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF111_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.08972968; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF110_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.08964616; 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_CONF832_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80602463; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF821_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80610922; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF822_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80656040; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF675_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80580812; Eh |
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