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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Feb-2023 | flusulfamide_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2528.21561392; Eh | |||
 | 24-Feb-2023 | flusulfamide_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2528.21751138; Eh | |||
 | 24-Feb-2023 | flusulfamide_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2528.21380239; Eh | |||
 | 24-Feb-2023 | flusulfamide_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2528.21784180; Eh | |||
 | 24-Feb-2023 | flusulfamide_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2528.20965081; Eh | |||
 | 24-Feb-2023 | flusulfamide_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2528.21760911; Eh | |||
 | 24-Feb-2023 | flutianil_CONF16_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2113.08212943; Eh | |||
 | 24-Feb-2023 | flutianil_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2113.09414790; Eh | |||
 | 24-Feb-2023 | flutianil_CONF10_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2113.08247465; Eh | |||
 | 24-Feb-2023 | flutianil_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2113.08257598; Eh |
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- 1904 Single point