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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Mar-2025 | fomesafen_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2296.51293336; Eh | |||
 | 13-Mar-2025 | fomesafen_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2296.51267591; Eh | |||
 | 13-Mar-2025 | fomesafen_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2296.51270832; Eh | |||
 | 13-Mar-2025 | fomesafen_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2296.48681208; Eh | |||
 | 13-Mar-2025 | fomesafen_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2296.48673866; Eh | |||
 | 13-Mar-2025 | fomesafen_CONF5_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2296.48707153; Eh | |||
 | 13-Mar-2025 | fomesafen_CONF9_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2296.48818653; Eh | |||
 | 13-Mar-2025 | fomesafen_CONF8_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2296.48788571; Eh | |||
 | 13-Mar-2025 | fomesafen_CONF24_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2296.48527622; Eh | |||
 | 13-Mar-2025 | fomesafen_CONF27_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2296.48504702; Eh |
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