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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Mar-2023 | captan_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2331.84998580; Eh | |||
 | 6-Mar-2023 | captafol_cis_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2830.80166295; Eh | |||
 | 6-Mar-2023 | anilazine_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1945.69045393; Eh | |||
 | 6-Mar-2023 | anilazine_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1945.67177140; Eh | |||
 | 6-Mar-2023 | captafol_cis_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2830.80207307; Eh | |||
 | 6-Mar-2023 | captafol_cis_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2830.80173658; Eh | |||
 | 6-Mar-2023 | captafol_cis_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2830.80317289; Eh | |||
 | 6-Mar-2023 | dichlofluanid_CONF34_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2426.22790314; Eh | |||
 | 6-Mar-2023 | dichlofluanid_CONF38_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2426.22791640; Eh | |||
 | 6-Mar-2023 | dichlofluanid_CONF35_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2426.22641279; Eh |
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- 273 Single point