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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_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49816936; Eh | ||||
24-Feb-2023 | ipflufenoquin_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49690016; 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_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49713090; Eh | ||||
24-Feb-2023 | ipflufenoquin_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49791509; Eh | ||||
24-Feb-2023 | ipflufenoquin_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49680399; 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_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49806816; Eh | ||||
24-Feb-2023 | ipflufenoquin_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49807749; Eh | ||||
24-Feb-2023 | ipflufenoquin_CONF18_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49863027; Eh |
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