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Collection's Items (Sorted by Submit Date in Descending order): 3201 to 3220 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Tebupirimfos_CONF391_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18561989; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF393_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18582739; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF394_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18574438; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF397_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18564878; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF399_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18573877; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF400_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18568933; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF401_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18566084; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF402_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18567170; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF404_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18551079; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF405_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18463978; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF406_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18478595; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF407_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18395792; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF408_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18467396; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF410_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18415379; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF429_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18715473; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF430_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18725241; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF434_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18527482; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF436_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18563051; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF437_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18539085; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF438_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18524122; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3201 to 3220 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum