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Collection's Items (Sorted by Submit Date in Descending order): 2141 to 2160 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Prothiofos_CONF343_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99676274; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF344_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99595752; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF345_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99590237; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF347_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99693959; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF348_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99675986; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF35_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99674297; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF350_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99738747; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF352_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99632494; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF36_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99751727; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF363_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99544208; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF364_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99587408; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF37_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99603195; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF370_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99624854; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF371_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99626747; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF378_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99797712; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF379_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99514484; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF380_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99692911; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF384_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99507977; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF391_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99555918; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99612894; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2141 to 2160 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum