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Collection's Items (Sorted by Submit Date in Descending order): 2921 to 2940 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Tebupirimfos_CONF116_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19666965; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF119_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19634497; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19608306; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF121_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19119889; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF122_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19092459; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF123_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19110854; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF124_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19128722; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF125_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19121120; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF126_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19125006; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF128_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19144272; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19573104; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF137_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19572244; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19544203; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF140_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19519828; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF141_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19580417; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF142_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19555834; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF143_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19507892; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF144_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19522601; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF145_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19517760; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF146_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19606987; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2921 to 2940 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum