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Collection's Items (Sorted by Submit Date in Descending order): 321 to 340 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Profenofos_CONF390_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04519911; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF393_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04502011; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF396_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04510973; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF398_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04450643; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF413_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04435627; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF423_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04554233; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF424_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04585423; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF426_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04580668; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF432_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04477203; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF434_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04581750; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF438_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04418797; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF440_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04588116; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF449_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04397918; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF450_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04398589; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF455_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04607283; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF456_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04601120; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF477_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04584813; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF490_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04326003; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF491_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04615885; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF492_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04325575; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 321 to 340 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum