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Collection's Items (Sorted by Submit Date in Descending order): 441 to 460 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Profenofos_CONF832_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04496153; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF837_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04495444; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF839_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04557255; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF840_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04722835; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF842_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04559832; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF846_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04533641; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF849_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04626955; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF852_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04680011; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF86_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04291469; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF87_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04513345; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF870_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04374471; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF873_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04486761; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF880_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04385673; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF881_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04351446; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF882_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04515272; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF889_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04483008; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF890_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04590483; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF891_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04500725; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF892_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04567729; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF893_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04452991; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 441 to 460 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum