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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_CONF254_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.19989562; Eh | |||
 | 23-Mar-2025 | dodine_CONF23_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20400641; Eh | |||
 | 23-Mar-2025 | dodine_CONF234_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20353211; Eh | |||
 | 23-Mar-2025 | dodine_CONF26_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20110326; Eh | |||
 | 23-Mar-2025 | dodine_CONF324_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.19999187; Eh | |||
 | 23-Mar-2025 | dodine_CONF328_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20184813; Eh | |||
 | 23-Mar-2025 | dodine_CONF356_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20165319; Eh | |||
 | 23-Mar-2025 | dodine_CONF367_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20243401; Eh | |||
 | 23-Mar-2025 | dodine_CONF314_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20097573; Eh | |||
 | 23-Mar-2025 | dodine_CONF306_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -677.20188428; Eh |
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