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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 25-May-2023 | triaziflam_CONF93_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1111.28290310; Eh | |||
![]() | 25-May-2023 | triaziflam_CONF91_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1111.28324707; Eh | |||
![]() | 25-May-2023 | triaziflam_CONF88_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1111.28462204; Eh | |||
![]() | 25-May-2023 | triaziflam_CONF86_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1111.28269960; Eh | |||
![]() | 25-May-2023 | triaziflam_CONF8_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1111.28057660; Eh | |||
![]() | 25-May-2023 | triaziflam_CONF76_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1111.28399001; Eh | |||
![]() | 25-May-2023 | triaziflam_CONF75_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1111.28397991; Eh | |||
![]() | 25-May-2023 | triaziflam_CONF7_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1111.28018665; Eh | |||
![]() | 25-May-2023 | triaziflam_CONF323_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1111.28464256; Eh | |||
![]() | 25-May-2023 | triaziflam_CONF305_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1111.28637667; Eh |
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