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Collection's Items (Sorted by Submit Date in Descending order): 3061 to 3080 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Tebupirimfos_CONF471_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19685369; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF49_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19232552; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF52_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19626223; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF53_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19605236; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF54_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19621169; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF55_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19628805; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF56_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19607537; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF57_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19599636; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF58_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19591171; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF59_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19602305; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF60_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19621030; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF61_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19541185; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF62_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19569297; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF64_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19536973; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF68_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19572473; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF69_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19602017; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF70_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19576178; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF78_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19728323; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF79_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19742924; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF80_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19499115; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3061 to 3080 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum