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Collection's Items (Sorted by Submit Date in Descending order): 2041 to 2060 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Prothiofos_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99521471; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF101_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99553036; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF103_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99435687; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF108_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99732021; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF109_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99818431; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF111_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99664514; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF112_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99744855; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF113_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99655147; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF115_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99774534; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF12_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99709577; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF121_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99573272; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF122_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99450410; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF124_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99647591; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF130_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99535731; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF131_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99523128; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF132_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99551106; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF133_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99380531; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF135_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99614406; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF136_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99371480; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF138_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99633250; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2041 to 2060 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum