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Collection's Items (Sorted by Submit Date in Descending order): 2121 to 2140 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Prothiofos_CONF288_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99619440; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF290_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99645942; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF291_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99657591; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF296_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99601513; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99644973; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF302_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99524066; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF308_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99647745; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF309_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99521266; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF310_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99624451; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF311_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99526970; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF312_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99427488; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF313_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99412815; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF314_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99417716; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF316_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99506128; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF325_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99644046; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF335_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99633953; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF336_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99483811; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF337_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99682632; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF339_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99315061; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF342_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99516327; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2121 to 2140 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum