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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
9-Feb-2023 | ethaboxam_CONF15_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.85112682; Eh | ||||
9-Feb-2023 | ethaboxam_CONF146_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.85159544; Eh | ||||
9-Feb-2023 | ethaboxam_CONF145_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.85121348; Eh | ||||
9-Feb-2023 | ethaboxam_CONF144_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.85134213; Eh | ||||
9-Feb-2023 | ethaboxam_CONF202_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.85085468; Eh | ||||
9-Feb-2023 | ethaboxam_CONF203_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.85079854; Eh | ||||
9-Feb-2023 | ethaboxam_CONF201_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.84943191; Eh |
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- 1417 Single point