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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_CONF165_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.82665926; Eh | ||||
9-Feb-2023 | ethaboxam_CONF167_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.82747178; Eh | ||||
9-Feb-2023 | ethaboxam_CONF168_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.82736838; Eh | ||||
9-Feb-2023 | ethaboxam_CONF161_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.82790802; Eh | ||||
9-Feb-2023 | ethaboxam_CONF212_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.82828667; Eh | ||||
9-Feb-2023 | ethaboxam_CONF208_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.82817748; Eh | ||||
9-Feb-2023 | ethaboxam_CONF209_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.82826188; Eh | ||||
9-Feb-2023 | ethaboxam_CONF210_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.82822954; Eh | ||||
9-Feb-2023 | ethaboxam_CONF211_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.82716421; Eh | ||||
9-Feb-2023 | ethaboxam_CONF21_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.82933827; Eh |
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