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Collection's Items (Sorted by Submit Date in Descending order): 2801 to 2820 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Tebupirimfos_CONF129_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17379846; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17662071; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF131_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17396921; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF137_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17696023; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17655105; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF140_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17689433; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF141_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17671080; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF143_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17696488; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF146_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17734493; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF15_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17681984; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17679004; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF165_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17492748; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF167_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17621217; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17663693; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF172_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17623035; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF180_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17822012; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF182_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17831050; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF183_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17822110; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF187_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17817272; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF192_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17805015; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2801 to 2820 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum