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Collection's Items (Sorted by Submit Date in Descending order): 2701 to 2720 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Quinalphos_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1541.23032737; Eh | |||
 | 20-Mar-2025 | Quinalphos_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1541.23104409; Eh | |||
 | 20-Mar-2025 | Quinalphos_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1541.23068869; Eh | |||
 | 20-Mar-2025 | Quinalphos_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1541.23035805; Eh | |||
 | 20-Mar-2025 | Quinalphos_CONF15_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1541.23112941; Eh | |||
 | 20-Mar-2025 | Quinalphos_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1541.23006858; Eh | |||
 | 20-Mar-2025 | Quinalphos_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1541.23112832; Eh | |||
 | 20-Mar-2025 | Quinalphos_CONF18_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1541.22982059; Eh | |||
 | 20-Mar-2025 | Quinalphos_CONF19_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1541.23112121; Eh | |||
 | 20-Mar-2025 | Quinalphos_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1541.23089253; Eh | |||
 | 20-Mar-2025 | Quinalphos_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1541.22984858; Eh | |||
 | 20-Mar-2025 | Quinalphos_CONF21_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1541.22850322; Eh | |||
 | 20-Mar-2025 | Quinalphos_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1541.22942625; Eh | |||
 | 20-Mar-2025 | Quinalphos_CONF23_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1541.22933255; Eh | |||
 | 20-Mar-2025 | Quinalphos_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1541.23084472; Eh | |||
 | 20-Mar-2025 | Quinalphos_CONF31_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1541.23042311; Eh | |||
 | 20-Mar-2025 | Quinalphos_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1541.23102348; Eh | |||
 | 20-Mar-2025 | Quinalphos_CONF41_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1541.23013234; Eh | |||
 | 20-Mar-2025 | Quinalphos_CONF42_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1541.23003444; Eh | |||
 | 20-Mar-2025 | Quinalphos_CONF43_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1541.22992561; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2701 to 2720 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum