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Collection's Items (Sorted by Submit Date in Descending order): 101 to 120 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Phosphamidon_Z_CONF63_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17730556; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF65_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17846285; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF66_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17816052; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF67_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17820883; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF68_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17880281; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF69_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17864441; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17901022; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17846767; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF80_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17758843; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF82_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17731908; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF85_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17914081; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF88_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17919382; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF91_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17999992; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF93_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17717355; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF95_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17995178; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF10_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17364198; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF104_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17252038; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF107_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17324532; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF112_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17198777; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF115_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17154195; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 101 to 120 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum