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Collection's Items (Sorted by Submit Date in Descending order): 1581 to 1600 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Prothiofos_CONF176_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99005924; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF178_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99192759; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF18_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99248913; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF182_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99144202; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF183_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99138213; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF186_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99044957; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF189_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99409876; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF190_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99043061; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF191_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99057443; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF193_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99181726; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF194_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99410874; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF197_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99293752; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF199_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99096407; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99278924; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF209_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99231207; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF210_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99231518; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF211_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99125385; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF213_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99046931; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF218_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99116592; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99246670; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1581 to 1600 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum