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Collection's Items (Sorted by Submit Date in Descending order): 41 to 60 of 5659
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Apr-2023 | azafenidin_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.58187314; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.57693914; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF18_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.57386459; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF19_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.57338196; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.57681315; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF20_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.57397493; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF21_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.57419265; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.57741088; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.57770765; Eh | |||
 | 25-Apr-2023 | azafenidin_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1814.57722897; Eh | |||
 | 25-Apr-2023 | bifenox_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.19369241; Eh | |||
 | 25-Apr-2023 | bifenox_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.19348277; Eh | |||
 | 25-Apr-2023 | bifenox_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.19337375; Eh | |||
 | 25-Apr-2023 | bifenox_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.19327903; Eh | |||
 | 25-Apr-2023 | bifenox_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.19337935; Eh | |||
 | 25-Apr-2023 | bifenox_CONF5_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.19343550; Eh | |||
 | 25-Apr-2023 | bifenox_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.19362263; Eh | |||
 | 25-Apr-2023 | bifenox_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.19352512; Eh | |||
 | 25-Apr-2023 | bifenox_CONF8_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.19344960; Eh | |||
 | 25-Apr-2023 | bifenox_CONF9_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.19339380; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 41 to 60 of 5659
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