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Collection's Items (Sorted by Submit Date in Descending order): 2221 to 2240 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Prothiofos_CONF615_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99461928; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF616_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99564303; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF62_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99302630; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF626_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99529928; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF629_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99714657; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF632_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99576402; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF634_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99735612; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF645_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99665346; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF66_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99771890; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF665_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99501731; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF669_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99891115; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF67_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99746406; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF671_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99356609; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF68_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99476711; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF687_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99861866; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF688_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99647438; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF696_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99773353; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF70_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99478737; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF71_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99660885; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF711_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99700653; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2221 to 2240 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum