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Collection's Items (Sorted by Submit Date in Descending order): 1661 to 1680 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Prothiofos_CONF436_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99198162; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF438_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99257692; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF44_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99253877; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF441_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99254250; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF443_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99335725; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF45_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99243853; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF452_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99180552; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF464_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99315821; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF465_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99065297; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF466_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99062368; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF469_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99062090; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF471_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99067013; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF472_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99209546; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF475_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99312823; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF48_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99249226; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF484_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99184163; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF485_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99017033; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF486_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99180070; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF497_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99128919; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF498_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99029798; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1661 to 1680 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum