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Collection's Items (Sorted by Submit Date in Descending order): 261 to 280 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Profenofos_CONF110_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04425046; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF111_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04420823; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF115_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04710337; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF116_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04707431; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF127_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04541748; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF129_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04538096; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF131_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04546310; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF137_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04621286; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF139_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04403423; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF145_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04387509; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF146_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04690755; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF149_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04714228; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF160_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04402682; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF163_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04395810; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF165_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04556947; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF168_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04429854; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF169_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04557273; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF174_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04413622; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF178_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04526842; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF183_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04354472; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 261 to 280 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum