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Collection's Items (Sorted by Submit Date in Descending order): 421 to 440 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Profenofos_CONF784_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04450463; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF785_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04773344; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF789_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04511025; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF79_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04657258; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF790_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04519519; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF794_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04443408; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF795_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04514385; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF796_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04470931; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF800_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04473330; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF801_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04513124; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF802_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04435744; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF808_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04492154; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF81_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04508634; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF812_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04548106; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF814_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04550024; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF817_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04525338; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF820_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04601017; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF823_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04536537; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF824_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04566265; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF825_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04630403; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 421 to 440 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum