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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-May-2023 | cyclopyrimorate_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.47651226; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF79_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.47575562; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF86_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.47468057; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.50602040; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.50573051; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.50534153; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.50583759; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF41_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.50320657; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF57_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.50319822; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF56_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.50335729; Eh |
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