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Collection's Items (Sorted by Submit Date in Descending order): 401 to 420 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Profenofos_CONF733_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04573476; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF736_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04597491; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF737_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04441371; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF742_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04448922; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF745_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04644035; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF748_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04647520; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF75_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04687877; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF756_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04510868; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF758_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04407033; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF760_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04547528; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF763_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04535355; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF764_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04556223; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF766_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04592058; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF771_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04577494; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF773_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04579596; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF776_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04442351; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF779_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04519761; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF78_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04655292; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF780_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04767940; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF782_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04392417; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 401 to 420 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum