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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_CONF470_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26509343; Eh | |||
 | 13-Mar-2025 | lactofen_CONF332_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26524009; Eh | |||
 | 13-Mar-2025 | lactofen_CONF314_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26476369; Eh | |||
 | 13-Mar-2025 | lactofen_CONF148_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.25204745; Eh | |||
 | 13-Mar-2025 | lactofen_CONF14_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.25595481; Eh | |||
 | 13-Mar-2025 | lactofen_CONF147_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.25221157; Eh | |||
 | 13-Mar-2025 | lactofen_CONF105_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.25463825; Eh | |||
 | 13-Mar-2025 | lactofen_CONF100_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.25303843; Eh | |||
 | 13-Mar-2025 | lactofen_CONF98_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26562416; Eh | |||
 | 13-Mar-2025 | lactofen_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26351663; Eh |
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