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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Mar-2025 | lactofen_CONF82_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26382648; Eh | |||
 | 13-Mar-2025 | lactofen_CONF84_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26589294; Eh | |||
 | 13-Mar-2025 | lactofen_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26459265; Eh | |||
 | 13-Mar-2025 | lactofen_CONF693_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26504245; Eh | |||
 | 13-Mar-2025 | lactofen_CONF68_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26439759; Eh | |||
 | 13-Mar-2025 | lactofen_CONF690_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26505264; Eh | |||
 | 13-Mar-2025 | lactofen_CONF346_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26476565; Eh | |||
 | 13-Mar-2025 | lactofen_CONF347_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26577136; Eh | |||
 | 13-Mar-2025 | lactofen_CONF331_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26497084; Eh | |||
 | 13-Mar-2025 | lactofen_CONF334_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26487195; Eh |
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