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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_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.72058554; 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_CONF161_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.71743878; 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_CONF156_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.71752363; Eh | |||
 | 17-Jan-2023 | esprocarb_CONF129_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.71804209; Eh | |||
 | 17-Jan-2023 | esprocarb_CONF132_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.71824077; Eh | |||
 | 17-Jan-2023 | esprocarb_CONF131_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.71788874; Eh | |||
 | 17-Jan-2023 | esprocarb_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.72056076; Eh |
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- 8999 Orca