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Collection's Items (Sorted by Submit Date in Descending order): 2181 to 2200 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Prothiofos_CONF464_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99756474; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF465_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99443397; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF466_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99425808; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF469_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99431287; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF472_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99659756; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF475_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99754539; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF48_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99636451; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF484_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99543812; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF485_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99410267; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF486_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99573392; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF49_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99359507; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF497_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99516559; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF498_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99398138; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99589621; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF501_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99411801; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF502_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99441233; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF51_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99689962; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF52_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99329071; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF530_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99785805; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF531_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99790515; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2181 to 2200 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum