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Collection's Items (Sorted by Submit Date in Descending order): 21 to 40 of 5659
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Apr-2023 | azafenidin_CONF18_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.55248548; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF19_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.55249468; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.55450518; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.55250562; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF21_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.55276924; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.55442838; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.55498420; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF5_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.55458724; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.55378466; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF9_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.55293178; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.58469352; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.58141560; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF19_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.58180093; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.58505722; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF20_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.58165370; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF21_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.58208674; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.58538120; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.58529338; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.58559064; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.58516780; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 21 to 40 of 5659
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