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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_CONF47_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81415243; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF662_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80563581; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF648_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80635201; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF638_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80642299; 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_CONF594_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80651854; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF561_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80630920; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF445_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80551722; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF449_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80512491; Eh |
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