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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_CONF167_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26578725; Eh | |||
 | 13-Mar-2025 | lactofen_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26534343; Eh | |||
 | 13-Mar-2025 | lactofen_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26607731; Eh | |||
 | 13-Mar-2025 | lactofen_CONF130_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26502295; Eh | |||
 | 13-Mar-2025 | lactofen_CONF115_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26602739; Eh | |||
 | 13-Mar-2025 | lactofen_CONF109_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26366167; Eh | |||
 | 13-Mar-2025 | lactofen_CONF217_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26686536; Eh | |||
 | 13-Mar-2025 | lactofen_CONF216_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26517622; Eh | |||
 | 13-Mar-2025 | lactofen_CONF215_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26667124; Eh | |||
 | 13-Mar-2025 | lactofen_CONF211_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26320905; Eh |
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