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Collection's Items (Sorted by Submit Date in Descending order): 3101 to 3120 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Tebupirimfos_CONF113_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18549693; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF119_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18561860; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF12_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18548521; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF120_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18129753; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF121_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18162018; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF122_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18140360; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF123_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18127511; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF124_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18145146; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF125_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18173340; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF126_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18139190; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF127_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18179271; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF128_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18160081; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF13_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18513877; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF14_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18502195; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF140_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18492456; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF141_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18494366; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF142_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18470430; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF144_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18515749; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF145_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18516724; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF146_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18579151; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3101 to 3120 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum