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Collection's Items (Sorted by Submit Date in Descending order): 1681 to 1700 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Prothiofos_CONF501_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99022475; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF502_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99021550; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF51_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99149155; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF530_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99283865; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF531_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99281812; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF54_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99280657; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF540_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99172329; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF542_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99254472; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF543_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99138918; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF557_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99314839; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF56_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99251281; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF568_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99058431; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF569_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99103669; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF570_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99348578; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF572_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99352385; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF575_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99053291; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF578_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99057810; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF579_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99055866; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF585_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99044070; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF59_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99246690; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1681 to 1700 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum