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Collection's Items (Sorted by Submit Date in Descending order): 3041 to 3060 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Tebupirimfos_CONF438_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19574139; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF439_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19628791; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF440_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19546686; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF441_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19594688; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF442_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19588370; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF444_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19614123; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF446_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19406868; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF447_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19522978; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF448_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19423950; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF450_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19638856; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF451_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19649138; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF452_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19441837; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF455_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19527207; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF456_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19544833; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF457_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19516433; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF458_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19651012; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF459_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19679079; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF465_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19462414; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF468_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19715418; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF469_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19723529; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3041 to 3060 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum