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Collection's Items (Sorted by Submit Date in Descending order): 1701 to 1720 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Prothiofos_CONF599_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99009443; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99198501; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF60_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99083718; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF601_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99062510; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF61_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99086454; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF615_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99084883; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF616_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99094164; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF632_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99171578; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF634_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99161060; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF643_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99141000; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF645_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99136313; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF66_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99279630; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF67_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99261380; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF68_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99120696; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF688_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99061213; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF70_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99123247; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF71_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99304516; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF713_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99155800; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF718_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.98958917; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF73_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99263346; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1701 to 1720 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum