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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-May-2023 | tetflupyrolimet_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1393.20054126; Eh | |||
 | 25-May-2023 | tetflupyrolimet_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1393.20038701; Eh | |||
 | 25-May-2023 | tetflupyrolimet_CONF15_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1393.20030443; Eh | |||
 | 25-May-2023 | tetflupyrolimet_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1393.20422455; Eh | |||
 | 25-May-2023 | tetflupyrolimet_CONF8_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1393.20401313; Eh | |||
 | 25-May-2023 | tetflupyrolimet_CONF9_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1393.20455633; Eh | |||
 | 25-May-2023 | tetflupyrolimet_CONF33_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1393.22815551; Eh | |||
 | 25-May-2023 | tetflupyrolimet_CONF42_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1393.22447511; Eh | |||
 | 25-May-2023 | tetflupyrolimet_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1393.22807930; Eh | |||
 | 25-May-2023 | tetflupyrolimet_CONF44_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1393.22850386; Eh |
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