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Collection's Items (Sorted by Submit Date in Descending order): 701 to 720 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Profenofos_CONF244_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05335490; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF245_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05456837; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF246_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05529836; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF247_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05340668; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF249_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05427298; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF256_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05399464; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF259_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05367766; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF26_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05381983; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF260_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05409932; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF271_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05541095; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF283_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05348148; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF294_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05477537; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF295_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05474504; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF305_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05284355; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF315_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05473360; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF331_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05419565; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF334_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05514947; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF342_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05473384; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF343_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05459428; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF346_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05511951; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 701 to 720 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum