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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Mar-2025 | dodine_CONF112_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20425431; Eh | |||
 | 23-Mar-2025 | dodine_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20053696; Eh | |||
 | 23-Mar-2025 | dodine_CONF1451_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20384174; Eh | |||
 | 23-Mar-2025 | dodine_CONF1446_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20387125; Eh | |||
 | 23-Mar-2025 | dodine_CONF1403_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20369743; Eh | |||
 | 23-Mar-2025 | dodine_CONF1427_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20375647; Eh | |||
 | 23-Mar-2025 | dodine_CONF1411_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.19881752; Eh | |||
 | 23-Mar-2025 | dodine_CONF141_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20025398; Eh | |||
 | 23-Mar-2025 | dodine_CONF140_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20136121; Eh | |||
 | 23-Mar-2025 | dodine_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20317156; Eh |
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