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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_CONF64_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.47672291; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF67_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.47681776; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF75_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.47570525; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF84_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.47636815; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF83_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.47560267; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.50467145; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.50458178; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF40_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.50336797; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF42_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.50321228; Eh | |||
 | 8-May-2023 | cyclopyrimorate_CONF45_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1661.50341647; Eh |
Results 51-60 of 123 (Search time: 0.001 seconds).