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Collection's Items (Sorted by Submit Date in Descending order): 1561 to 1580 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Prothiofos_CONF130_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99100481; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF131_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99090026; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF133_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99021781; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF135_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99183253; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF136_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99010171; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF138_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99166960; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF144_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99153933; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF149_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99174122; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF152_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99290276; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF154_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99247506; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF156_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99219046; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF159_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99177435; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99137260; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF160_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99376733; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF162_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99244095; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF163_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99386656; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF164_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99186253; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF167_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99289255; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99085180; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF172_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99362084; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1561 to 1580 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum