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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_CONF263_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53638487; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF264_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51368239; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF264_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54687863; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF264_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53684317; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF265_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51248182; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF265_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54500492; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF265_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53509525; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF266_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51364772; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF266_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54683914; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF266_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53680240; 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_CONF267_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54717483; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF267_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53716120; 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 | ametoctradin_CONF268_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54704665; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF268_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53701192; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF269_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51235299; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF269_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54559975; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF269_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53638309; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF26_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51477147; Eh |