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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_CONF302_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53680771; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF303_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51240488; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF303_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54580005; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF303_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53657122; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF304_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51233675; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF304_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54574124; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF304_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53653338; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF305_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51248603; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF305_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54580734; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF305_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53661070; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF306_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51277838; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF306_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54578792; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF306_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53603186; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF307_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.50715202; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF307_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53186610; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF308_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51232591; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF308_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54568518; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF308_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.53652917; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF309_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51104389; Eh | |||
 | 7-Oct-2022 | ametoctradin_CONF309_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54439131; Eh |