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Collection's Items (Sorted by Submit Date in Descending order): 2081 to 2100 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Prothiofos_CONF178_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99651178; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF18_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99716206; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF182_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99551796; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF183_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99540987; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF186_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99475606; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF189_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99838264; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF190_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99473440; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF191_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99486165; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF193_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99540222; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF194_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99830762; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF197_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99801383; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99535408; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF20_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99717208; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF201_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99601707; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF207_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99566455; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF208_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99568205; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF209_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99627303; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF210_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99630131; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF211_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99608961; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF213_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99411481; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2081 to 2100 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum