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Collection's Items (Sorted by Submit Date in Descending order): 2061 to 2080 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Prothiofos_CONF141_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99860761; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF144_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99503581; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF149_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99713608; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF150_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99594476; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF152_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99693367; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF153_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99588110; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF154_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99705033; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF156_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99661829; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF159_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99655486; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF16_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99670172; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF160_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99793240; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF162_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99719943; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF163_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99739798; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF164_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99661673; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF167_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99747663; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF169_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99574618; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF17_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99551653; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF172_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99807575; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF175_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99566659; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF176_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99417815; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2061 to 2080 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum