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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Oct-2022 | silthiofam_CONF13_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1325.82299394; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF1092_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53546637; Eh | |||
 | 7-Oct-2022 | silthiofam_CONF11_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1325.82205243; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF1090_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53406983; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF272_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51238095; Eh | |||
 | 7-Oct-2022 | silthiofam_CONF10_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1325.82320059; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF109_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53761152; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF271_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51237583; Eh | |||
 | 7-Oct-2022 | silthiofam_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1325.82292342; Eh | |||
 | 7-Oct-2022 | silthiofam_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1325.83183781; Eh |
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- 7108 Single point