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Collection's Items (Sorted by Submit Date in Descending order): 2941 to 2960 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Tebupirimfos_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19579349; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF158_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19551477; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF159_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19576169; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF16_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19552607; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF160_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19581067; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF161_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19576627; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF162_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19576440; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF163_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19498629; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF165_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19466091; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF166_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19516515; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF167_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19506505; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF168_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19587823; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19550591; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF172_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19524523; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF180_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19700080; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF182_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19699379; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF183_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19691250; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF187_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19685931; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF192_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19683152; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF196_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19699368; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2941 to 2960 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum