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Collection's Items (Sorted by Submit Date in Descending order): 301 to 320 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Profenofos_CONF295_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04562430; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF305_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04397589; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF315_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04444659; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF331_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04529072; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF334_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04631471; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF346_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04417027; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF349_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04444897; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF350_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04539027; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF352_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04544464; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF354_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04644611; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF356_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04550219; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF358_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04564147; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF359_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04571048; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF363_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04491850; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF365_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04480103; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF366_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04570242; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF368_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04560733; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF374_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04391151; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF384_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04464437; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF387_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.04519971; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 301 to 320 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum