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Collection's Items (Sorted by Submit Date in Descending order): 2861 to 2880 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Tebupirimfos_CONF354_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17529599; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF359_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17622167; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF362_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17624812; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF363_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17619586; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF365_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17497941; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF367_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17766842; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF368_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17766501; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF380_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17465771; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF382_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17473789; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF393_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17506152; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF394_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17541434; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF397_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17490802; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF399_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17510953; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF400_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17495024; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF401_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17514095; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF402_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17503458; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF404_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17520793; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF405_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17467615; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF429_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17684407; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF430_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17696708; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2861 to 2880 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum