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Collection's Items (Sorted by Submit Date in Descending order): 741 to 760 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Profenofos_CONF405_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05499327; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF410_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05500926; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF413_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05436880; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF414_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05506100; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF423_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05529151; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF424_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05425127; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF426_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05414702; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF431_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05479100; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF432_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05454785; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF434_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05451476; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF438_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05420458; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF440_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05473450; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF448_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05450361; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF449_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05277011; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF450_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05282349; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF451_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05461076; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF453_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05416102; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF454_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05516505; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF455_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05514724; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF456_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05514046; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 741 to 760 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum