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Collection's Items (Sorted by Submit Date in Descending order): 2901 to 2920 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Tebupirimfos_CONF78_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17835427; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF79_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17832843; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF81_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17801374; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF84_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17845751; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF87_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17538657; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF89_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17806977; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF90_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17811110; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF92_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17846114; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF93_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17842019; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF94_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17834808; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF95_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17831064; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF99_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17807786; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF102_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19571420; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF104_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19441766; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF106_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19569215; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF109_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19633149; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19598271; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF110_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19628067; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF111_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19633041; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF113_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19548878; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2901 to 2920 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum