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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_CONF681_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80632126; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF683_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80712150; Eh | |||
 | 13-Mar-2025 | epyrifenacil_CONF22_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.32153728; Eh | |||
 | 13-Mar-2025 | epyrifenacil_CONF26_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.32206994; Eh | |||
 | 13-Mar-2025 | epyrifenacil_CONF27_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.32009428; Eh | |||
 | 13-Mar-2025 | epyrifenacil_CONF158_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.31902048; Eh | |||
 | 13-Mar-2025 | epyrifenacil_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.32146939; Eh | |||
 | 13-Mar-2025 | epyrifenacil_CONF124_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.31741524; Eh | |||
 | 13-Mar-2025 | epyrifenacil_CONF147_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.31906615; Eh | |||
 | 13-Mar-2025 | epyrifenacil_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2285.32032800; Eh |
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