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Collection's Items (Sorted by Submit Date in Descending order): 901 to 920 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Profenofos_CONF846_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05388555; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF849_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05334971; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF852_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05559059; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF86_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05435033; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF87_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05447551; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF870_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05403316; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF871_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05442320; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF873_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05402110; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF874_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05548457; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF881_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05390910; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF882_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05565550; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF889_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05481074; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF890_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05513797; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF891_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05475576; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF893_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05306059; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF894_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05379094; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF899_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05336896; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF90_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05629240; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF900_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05343348; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF901_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05323409; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 901 to 920 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum