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Collection's Items (Sorted by Submit Date in Descending order): 2201 to 2220 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Prothiofos_CONF54_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99693462; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF540_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99638513; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF542_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99758480; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF543_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99535661; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF557_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99761950; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF56_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99644024; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF560_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99500184; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF568_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99466137; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF572_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99746357; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF575_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99459801; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF578_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99481646; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF579_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99458818; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF585_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99457127; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF59_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99641133; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF593_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99689572; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF599_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99530913; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99607073; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF60_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99527009; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF601_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99536285; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF61_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99555823; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2201 to 2220 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum