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Collection's Items (Sorted by Submit Date in Descending order): 721 to 740 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Profenofos_CONF349_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05501701; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF350_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05511906; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF352_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05482478; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF354_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05568345; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF356_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05487767; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF358_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05408874; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF363_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05414746; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF365_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05406425; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF368_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05397983; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF374_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05319668; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF384_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05362309; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF387_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05362882; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF390_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05360371; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF393_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05341594; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF396_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05463782; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF398_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05494440; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF400_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05521535; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF401_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05526086; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF402_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05513369; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF403_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05482422; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 721 to 740 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum