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Collection's Items (Sorted by Submit Date in Descending order): 1641 to 1660 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Prothiofos_CONF364_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99146631; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF37_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99212882; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF370_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99218536; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF371_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99253129; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF378_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99336634; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF379_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99102284; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF380_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99292118; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF384_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99107065; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF391_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99185576; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF398_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99059821; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF40_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99284655; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF401_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99184384; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF41_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99280744; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF417_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.98974861; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF418_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99272283; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF419_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.98931520; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF420_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99252522; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF421_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.98977954; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF422_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.98934463; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF432_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99116550; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1641 to 1660 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum