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Collection's Items (Sorted by Submit Date in Descending order): 161 to 180 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Phosphamidon_Z_CONF184_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17346002; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF186_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17255440; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF187_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17277773; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF188_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17243021; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF22_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17234639; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF25_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17267011; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17418555; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF30_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17285537; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17409856; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF55_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17402399; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF63_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17233287; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF65_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17217436; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF66_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17211308; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF67_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17213395; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF68_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17337964; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF69_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17321282; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF80_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17144383; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF82_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17182704; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF85_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17354009; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF88_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17345279; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 161 to 180 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum