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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Mar-2025 | butafenacil_CONF77_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81561419; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF682_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81508029; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF681_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81651329; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF663_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81508736; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF637_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80573983; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF63_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80500513; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF618_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80596875; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF623_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80657912; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF608_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80576558; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF613_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80604177; Eh |
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