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Collection's Items (Sorted by Submit Date in Descending order): 3021 to 3040 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Tebupirimfos_CONF384_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19499719; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF391_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19522891; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF393_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19603175; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF394_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19593519; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF397_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19580733; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF399_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19533803; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF400_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19578143; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF401_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19583500; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF402_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19600599; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF404_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19530540; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF405_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19478815; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF406_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19491685; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF407_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19369850; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF408_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19485876; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF410_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19387653; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF429_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19736399; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF430_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19741906; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF434_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19512426; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF436_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19594361; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF437_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19570525; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3021 to 3040 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum