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Collection's Items (Sorted by Submit Date in Descending order): 121 to 140 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Phosphamidon_Z_CONF116_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17149506; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF125_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17330337; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF134_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17102716; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF135_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17418416; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF137_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17217617; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF138_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17405249; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF139_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17239249; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF14_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17118560; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF140_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17382591; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF141_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17097147; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF142_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17252617; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF143_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17341036; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF145_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17299545; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF146_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17275038; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF147_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17275169; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF148_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17347434; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF149_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17166631; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF150_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17317335; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF151_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17295926; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF152_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17258518; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 121 to 140 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum