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Collection's Items (Sorted by Submit Date in Descending order): 1621 to 1640 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Prothiofos_CONF296_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99166923; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99091097; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF300_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99173317; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF301_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99172665; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF302_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99169279; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF308_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99186824; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF309_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99154683; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF310_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99175774; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF311_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99141781; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF316_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99030534; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF325_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99206815; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF330_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99272152; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF331_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99267557; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF335_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99270144; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF339_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99090794; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF342_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99103698; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF346_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99045163; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF350_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99191059; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF36_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99287991; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF363_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99063525; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1621 to 1640 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum