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Collection's Items (Sorted by Submit Date in Descending order): 681 to 700 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Profenofos_CONF183_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05264189; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF186_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05428969; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF187_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05434599; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF191_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05691789; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF192_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05700286; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF198_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05706891; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF202_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05369260; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF205_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05493438; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF206_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05335427; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF212_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05435125; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF215_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05487009; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF216_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05279802; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF217_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05485836; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF219_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05434036; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF222_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05426353; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF228_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05621982; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF229_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05610795; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF230_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05209428; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF235_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05419019; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF236_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05387338; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 681 to 700 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum