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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_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_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49806816; Eh | ||||
24-Feb-2023 | ipflufenoquin_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49550332; Eh | ||||
24-Feb-2023 | ipflufenoquin_CONF23_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49833276; Eh | ||||
24-Feb-2023 | ipflufenoquin_CONF28_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49754791; Eh | ||||
24-Feb-2023 | ipflufenoquin_CONF24_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49834258; Eh | ||||
24-Feb-2023 | ipflufenoquin_CONF30_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49624013; Eh |
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