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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Oct-2022 | lenacil_CONF1_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -766.31756176; Eh | |||
 | 10-Oct-2022 | phenmedipham_CONF17_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1029.88873963; Eh | |||
 | 10-Oct-2022 | phenmedipham_CONF2_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1029.88845628; Eh | |||
 | 10-Oct-2022 | phenmedipham_CONF32_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1029.88788211; Eh | |||
 | 10-Oct-2022 | phenmedipham_CONF37_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1029.88783770; Eh | |||
 | 10-Oct-2022 | phenmedipham_CONF45_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1029.88819477; Eh | |||
 | 10-Oct-2022 | phenmedipham_CONF19_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1029.91041736; Eh | |||
 | 10-Oct-2022 | amicarbazone_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -816.84881225; Eh | |||
 | 10-Oct-2022 | amicarbazone_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -816.84899240; Eh | |||
 | 10-Oct-2022 | amicarbazone_CONF1_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -816.82479619; Eh |
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