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Collection's Items (Sorted by Submit Date in Descending order): 861 to 880 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Profenofos_CONF762_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05425243; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF763_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05524238; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF764_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05522131; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF766_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05388149; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF769_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05476381; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF771_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05457788; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF772_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05241771; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF773_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05533336; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF775_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05476934; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF776_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05475545; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF779_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05452461; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF780_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05574210; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF782_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05327113; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF784_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05494074; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF785_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05566742; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF788_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05382653; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF789_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05520094; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF790_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05529207; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF792_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05393800; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF794_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05415318; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 861 to 880 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum