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Collection's Items (Sorted by Submit Date in Descending order): 2101 to 2120 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Prothiofos_CONF218_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99606710; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF22_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99669976; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF224_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99899600; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF225_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99496355; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF226_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99814234; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF229_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99475766; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF23_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99427655; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF230_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99818734; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF231_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99465737; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF232_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99624488; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF249_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99577777; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF252_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99831598; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF253_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99561203; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF26_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99551624; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF270_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99657095; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF273_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99465022; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF278_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99479905; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF282_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99614312; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF284_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99683560; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF285_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99494208; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2101 to 2120 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum