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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_CONF228_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1111.28620787; Eh | ||||
25-May-2023 | triaziflam_CONF204_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1111.28642468; Eh | ||||
25-May-2023 | triaziflam_CONF199_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1111.28610367; Eh | ||||
25-May-2023 | triaziflam_CONF184_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1111.28614724; Eh | ||||
25-May-2023 | triaziflam_CONF182_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1111.28630802; Eh | ||||
25-May-2023 | triaziflam_CONF179_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1111.28594294; Eh | ||||
25-May-2023 | triaziflam_CONF162_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1111.28569112; Eh | ||||
25-May-2023 | triaziflam_CONF159_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1111.28636172; Eh | ||||
25-May-2023 | triaziflam_CONF156_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1111.28588185; Eh | ||||
25-May-2023 | triaziflam_CONF154_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1111.28629070; Eh |
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