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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_CONF206_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.82817668; 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_CONF202_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.82826040; Eh | |||
![]() | 9-Feb-2023 | ethaboxam_CONF204_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.82713960; 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_CONF233_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.82641964; Eh | |||
![]() | 9-Feb-2023 | ethaboxam_CONF236_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.82677846; Eh | |||
![]() | 9-Feb-2023 | ethaboxam_CONF239_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.82833473; Eh | |||
![]() | 9-Feb-2023 | ethaboxam_CONF240_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.82678347; Eh | |||
![]() | 9-Feb-2023 | ethaboxam_CONF235_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.82834526; Eh |
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