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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_CONF74_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80541612; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF700_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80545705; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF70_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80433691; Eh | |||
 | 13-Mar-2025 | epyrifenacil_CONF57_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.31871318; Eh | |||
 | 13-Mar-2025 | epyrifenacil_CONF40_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.31809355; Eh | |||
 | 13-Mar-2025 | epyrifenacil_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.32037311; Eh | |||
 | 13-Mar-2025 | epyrifenacil_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.32072406; Eh | |||
 | 13-Mar-2025 | epyrifenacil_CONF8_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.29208859; Eh | |||
 | 13-Mar-2025 | epyrifenacil_CONF49_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.28777827; Eh | |||
 | 13-Mar-2025 | epyrifenacil_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.29264498; Eh |
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