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Collection's Items (Sorted by Submit Date in Descending order): 2161 to 2180 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Prothiofos_CONF40_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99742456; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF401_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99546919; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF41_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99685223; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF415_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99449162; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF417_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99425528; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF418_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99772518; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF419_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99407527; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF420_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99737176; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF421_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99414462; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF422_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99409792; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF429_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99418248; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF432_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99573563; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF436_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99723818; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF438_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99692004; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF44_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99740309; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF441_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99771003; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF443_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99719162; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF447_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99479212; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF45_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99634125; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF452_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99516978; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2161 to 2180 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum