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Collection's Items (Sorted by Submit Date in Descending order): 2841 to 2860 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Tebupirimfos_CONF23_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17717879; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF231_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17764332; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF24_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17723137; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF26_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17385508; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF27_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17414128; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF289_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17492191; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF29_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17421764; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF290_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17514985; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF298_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17582188; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF299_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17620693; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF30_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17425133; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF301_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17468296; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF309_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17502357; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF317_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17714963; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF32_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17424050; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF321_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17560549; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF336_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17724676; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF34_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17441779; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF343_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17602397; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF344_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17612719; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2841 to 2860 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum