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Collection's Items (Sorted by Submit Date in Descending order): 281 to 300 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Profenofos_CONF186_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04520374; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF187_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04517887; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF191_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04726342; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF192_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04737162; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF198_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04749059; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF205_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04594478; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF215_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04514675; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF217_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04520184; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF228_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04571263; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF229_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04563130; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF235_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04585522; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF244_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04317791; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF245_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04584396; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF246_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04568936; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF247_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04309945; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF249_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04553021; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF259_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04415948; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF271_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04548870; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF283_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04468594; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF294_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04563995; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 281 to 300 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum