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Collection's Items (Sorted by Submit Date in Descending order): 61 to 80 of 5659
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Apr-2023 | bifenox_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.21136255; Eh | |||
 | 25-Apr-2023 | bifenox_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.21139664; Eh | |||
 | 25-Apr-2023 | bifenox_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.21141186; Eh | |||
 | 25-Apr-2023 | bifenox_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.21118323; Eh | |||
 | 25-Apr-2023 | bifenox_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.21118576; Eh | |||
 | 25-Apr-2023 | bifenox_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.21146411; Eh | |||
 | 25-Apr-2023 | bifenox_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.21123653; Eh | |||
 | 25-Apr-2023 | bifenox_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.21074297; Eh | |||
 | 25-Apr-2023 | bifenox_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.21104032; Eh | |||
 | 25-Apr-2023 | bifenox_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.21098928; Eh | |||
 | 25-Apr-2023 | bifenox_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.20373647; Eh | |||
 | 25-Apr-2023 | bifenox_CONF10_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.20380243; Eh | |||
 | 25-Apr-2023 | bifenox_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.20382728; Eh | |||
 | 25-Apr-2023 | bifenox_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.20364883; Eh | |||
 | 25-Apr-2023 | bifenox_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.20365713; Eh | |||
 | 25-Apr-2023 | bifenox_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.20370318; Eh | |||
 | 25-Apr-2023 | bifenox_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.20334193; Eh | |||
 | 25-Apr-2023 | bifenox_CONF7_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.20305782; Eh | |||
 | 25-Apr-2023 | bifenox_CONF8_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.20321349; Eh | |||
 | 25-Apr-2023 | bifenox_CONF9_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1890.20343061; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 61 to 80 of 5659
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