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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Mar-2023 | chinomethionat_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1365.86741361; Eh | |||
 | 6-Mar-2023 | dichlofluanid_CONF23_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2426.22642637; Eh | |||
 | 6-Mar-2023 | dichlofluanid_CONF26_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2426.22493623; Eh | |||
 | 6-Mar-2023 | dichlofluanid_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2426.22756895; Eh | |||
 | 6-Mar-2023 | captafol_trans_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2830.80054655; Eh | |||
 | 6-Mar-2023 | captafol_trans_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2830.80181863; Eh | |||
 | 6-Mar-2023 | captafol_trans_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2830.80134852; Eh | |||
 | 6-Mar-2023 | captafol_trans_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2830.80264567; Eh | |||
 | 6-Mar-2023 | captafol_trans_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2830.80227494; Eh | |||
 | 6-Mar-2023 | captafol_trans_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2830.79990927; Eh |
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- 273 Single point