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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
24-Feb-2023 | ipflufenoquin_CONF40_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49770384; Eh | ||||
24-Feb-2023 | ipflufenoquin_CONF44_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49611816; Eh | ||||
24-Feb-2023 | ipflufenoquin_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49494585; Eh | ||||
24-Feb-2023 | ipflufenoquin_CONF15_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49867078; Eh | ||||
24-Feb-2023 | ipflufenoquin_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49731118; Eh | ||||
24-Feb-2023 | ipflufenoquin_CONF39_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49617979; Eh | ||||
24-Feb-2023 | ipflufenoquin_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49694153; Eh | ||||
24-Feb-2023 | ipflufenoquin_CONF43_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49822381; Eh | ||||
24-Feb-2023 | ipflufenoquin_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49713090; Eh | ||||
24-Feb-2023 | ipflufenoquin_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49807749; Eh |
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