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Collection's Items (Sorted by Submit Date in Descending order): 381 to 400 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Profenofos_CONF63_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04312301; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF641_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04451982; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF652_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04587094; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF654_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04372903; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF656_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04524916; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF657_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04523431; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF662_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04576333; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF663_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04574138; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF669_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04499522; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF670_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04496257; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF701_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04534611; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF707_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04634081; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF71_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04693200; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF711_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04500891; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF713_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04455084; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF716_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04482195; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF717_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04489085; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF72_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04702130; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF726_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04483691; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF732_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04524659; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 381 to 400 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum