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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_CONF360_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26654921; Eh | |||
 | 13-Mar-2025 | lactofen_CONF370_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26483731; Eh | |||
 | 13-Mar-2025 | lactofen_CONF37_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26580007; Eh | |||
 | 13-Mar-2025 | lactofen_CONF241_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26471027; Eh | |||
 | 13-Mar-2025 | lactofen_CONF244_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26479729; Eh | |||
 | 13-Mar-2025 | lactofen_CONF240_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26401248; Eh | |||
 | 13-Mar-2025 | lactofen_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26567027; Eh | |||
 | 13-Mar-2025 | lactofen_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26591132; Eh | |||
 | 13-Mar-2025 | lactofen_CONF246_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26468330; Eh | |||
 | 13-Mar-2025 | lactofen_CONF231_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26406471; Eh |
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