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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_CONF38_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.71975508; Eh | ||||
17-Jan-2023 | esprocarb_CONF37_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.71966774; Eh | ||||
17-Jan-2023 | esprocarb_CONF35_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.71968456; Eh | ||||
17-Jan-2023 | esprocarb_CONF36_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.71944072; Eh | ||||
17-Jan-2023 | esprocarb_CONF34_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.71968164; Eh | ||||
17-Jan-2023 | esprocarb_CONF33_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.71966744; Eh | ||||
17-Jan-2023 | esprocarb_CONF32_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.71958526; Eh | ||||
17-Jan-2023 | esprocarb_CONF31_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.71965106; Eh | ||||
17-Jan-2023 | esprocarb_CONF30_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.72042785; Eh | ||||
17-Jan-2023 | esprocarb_CONF29_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.72057089; Eh |
Results 8961-8970 of 8999 (Search time: 0.007 seconds).