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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
31-Jan-2024 | /NBO C4PLi_NBO | Skjelstad, Bastian Bjerkem | Orca; 5.0.3; RELEASE | Single point | MP2 | aug-cc-pVTZ | -994.53351380; Eh | ||||
31-Jan-2024 | /NBO C3PLi_NBO | Skjelstad, Bastian Bjerkem | Orca; 5.0.3; RELEASE | Single point | MP2 | aug-cc-pVTZ | -747.71417059; Eh |
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