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Collection's Items (Sorted by Submit Date in Descending order): 2821 to 2840 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Tebupirimfos_CONF196_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17831232; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF197_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17640487; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF201_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17637620; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF209_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17715810; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF21_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17728085; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF210_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17806310; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF211_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17728640; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF212_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17799439; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF213_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17684730; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF214_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17706062; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF215_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17773263; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF216_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17712043; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF217_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17677201; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF218_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17729041; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF219_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17737108; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17715322; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF220_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17755248; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF222_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17735132; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF223_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17705133; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF225_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17729750; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2821 to 2840 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum