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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_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2296.51211858; Eh | |||
 | 13-Mar-2025 | fomesafen_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2296.51214574; Eh | |||
 | 13-Mar-2025 | fomesafen_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2296.51237407; Eh | |||
 | 13-Mar-2025 | fomesafen_CONF23_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2296.51337456; Eh | |||
 | 13-Mar-2025 | fomesafen_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2296.51362448; Eh | |||
 | 13-Mar-2025 | fomesafen_CONF26_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2296.51144101; Eh | |||
 | 13-Mar-2025 | fomesafen_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2296.51262110; Eh | |||
 | 13-Mar-2025 | lactofen_CONF265_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24280830; Eh | |||
 | 13-Mar-2025 | lactofen_CONF253_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.23833272; Eh | |||
 | 13-Mar-2025 | lactofen_CONF255_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24317368; Eh |
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