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Collection's Items (Sorted by Submit Date in Descending order): 761 to 780 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Profenofos_CONF463_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05491957; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF477_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05488548; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF485_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05265699; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF486_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05417582; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF489_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05332750; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF490_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05332187; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF491_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05527204; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF492_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05331510; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF493_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05526820; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF495_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05206805; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF496_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05340956; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF501_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05582888; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF502_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05460853; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF505_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05584428; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF510_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05573400; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF516_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05568657; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF517_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05431902; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF519_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05482457; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF52_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05404115; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF521_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05517118; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 761 to 780 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum