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Collection's Items (Sorted by Submit Date in Descending order): 841 to 860 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Profenofos_CONF71_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05512488; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF711_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05402275; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF713_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05334518; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF716_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05463330; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF717_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05461388; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF72_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05492540; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF720_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05578370; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF726_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05479480; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF732_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05536810; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF733_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05223613; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF736_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05255680; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF737_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05261741; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF742_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05501961; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF745_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05569651; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF748_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05565224; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF75_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05471509; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF756_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05518454; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF757_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05560659; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF758_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05427680; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF760_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05520994; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 841 to 860 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum