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Collection's Items (Sorted by Submit Date in Descending order): 361 to 380 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Profenofos_CONF570_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04557747; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF571_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04554186; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF572_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04557068; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF578_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04561643; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF583_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04719548; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF584_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04559533; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF585_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04718044; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF588_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04555837; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF596_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04484955; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF598_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04585438; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF600_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04465649; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF605_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04569431; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF606_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04528518; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF609_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04358218; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF615_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04487460; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF616_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04486141; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF617_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04404582; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF619_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04577593; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF62_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04393233; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF622_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04567391; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 361 to 380 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum