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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
17-Jan-2023 | esprocarb_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.72047040; Eh | ||||
17-Jan-2023 | esprocarb_CONF19_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.71961644; Eh | ||||
17-Jan-2023 | esprocarb_CONF18_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.71978256; Eh | ||||
17-Jan-2023 | esprocarb_CONF171_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.71859034; Eh | ||||
17-Jan-2023 | esprocarb_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.72058554; Eh | ||||
17-Jan-2023 | esprocarb_CONF164_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.71741225; Eh | ||||
17-Jan-2023 | esprocarb_CONF161_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.71743878; Eh | ||||
17-Jan-2023 | esprocarb_CONF160_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.71729453; Eh | ||||
17-Jan-2023 | esprocarb_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.71983644; Eh | ||||
17-Jan-2023 | esprocarb_CONF158_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.71748376; Eh |
Results 8981-8990 of 8999 (Search time: 0.007 seconds).