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Collection's Items (Sorted by Submit Date in Descending order): 41 to 60 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Phosphamidon_Z_CONF95_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.15455071; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17971188; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17926070; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF104_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17767880; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF107_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17967973; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF109_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17956861; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF112_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17834215; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF115_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17773817; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF116_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17794917; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF125_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17895029; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF134_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17757662; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF135_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.18010072; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF136_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17898841; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF137_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17878802; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF138_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.18000207; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF139_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17854978; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17739533; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF140_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17983155; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF141_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17709941; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF142_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17875609; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 41 to 60 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum