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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_CONF19_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49580281; 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_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49550332; Eh | ||||
24-Feb-2023 | ipflufenoquin_CONF21_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49580250; Eh | ||||
24-Feb-2023 | ipflufenoquin_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49835467; 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_CONF24_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49834258; 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_CONF29_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49556218; Eh | ||||
24-Feb-2023 | ipflufenoquin_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49680189; Eh |
Results 11-20 of 151 (Search time: 0.001 seconds).