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Collection's Items (Sorted by Submit Date in Descending order): 801 to 820 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Profenofos_CONF583_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05438107; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF584_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05491671; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF585_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05439503; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF588_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05431158; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF596_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05481393; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF598_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05589853; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF605_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05545103; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF606_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05391604; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF609_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05309080; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF612_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05481856; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF613_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05481902; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF614_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05482666; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF615_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05401842; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF616_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05401749; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF617_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05419240; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF619_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05445497; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF62_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05378932; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF621_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05549743; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF622_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05576153; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF628_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05442706; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 801 to 820 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum