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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Oct-2022 | ametoctradin_CONF1087_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53078052; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF268_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51381117; Eh | |||
 | 7-Oct-2022 | silthiofam_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1325.83174825; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF1086_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53355848; Eh | |||
 | 7-Oct-2022 | silthiofam_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1325.83178813; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF267_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51385174; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF1085_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53577712; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF265_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51248182; Eh |
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- 7108 Single point