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Collection's Items (Sorted by Submit Date in Descending order): 3241 to 3260 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Tebupirimfos_CONF471_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18717666; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF49_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18206414; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF52_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18558199; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF53_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18574269; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF54_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18564120; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF55_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18564614; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF56_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18543508; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF57_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18541039; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF58_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18558254; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF59_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18539525; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF60_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18544705; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF62_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18534531; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF64_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18502368; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF68_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18527781; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF69_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18538189; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF70_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18525073; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF78_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18669398; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF79_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18684371; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF80_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18453193; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF81_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18668247; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3241 to 3260 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum