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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Mar-2025 | tiafenacil_CONF7_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.32645815; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF72_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.32574745; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF39_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.32358800; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF40_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.32399903; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF16_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.32537791; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF13_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.32706396; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF15_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.32534939; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.33452272; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF12_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.32701474; Eh | |||
 | 13-Mar-2025 | tiafenacil_CONF72_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2533.33318102; Eh |
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