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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_CONF67_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80465925; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF667_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80565936; Eh | |||
 | 13-Mar-2025 | epyrifenacil_CONF171_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.32060370; Eh | |||
 | 13-Mar-2025 | epyrifenacil_CONF176_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.32066393; Eh | |||
 | 13-Mar-2025 | epyrifenacil_CONF19_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.32085650; Eh | |||
 | 13-Mar-2025 | epyrifenacil_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.32169703; Eh | |||
 | 13-Mar-2025 | epyrifenacil_CONF121_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.31816510; Eh | |||
 | 13-Mar-2025 | epyrifenacil_CONF109_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.31912982; Eh | |||
 | 13-Mar-2025 | epyrifenacil_CONF120_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.31848430; Eh | |||
 | 13-Mar-2025 | epyrifenacil_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.31995571; Eh |
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