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Collection's Items (Sorted by Submit Date in Descending order): 3001 to 3020 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Tebupirimfos_CONF316_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19603785; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF317_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19555006; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF32_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19244250; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF321_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19565169; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF336_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19549838; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF337_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19485815; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF34_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19261575; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF342_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19483303; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF343_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19625943; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF344_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19650181; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF354_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19580688; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF359_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19684142; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF361_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19401684; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF362_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19674773; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF363_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19683580; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF365_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19529207; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF367_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19447321; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF368_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19442784; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF380_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19500801; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF382_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19506906; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3001 to 3020 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum