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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
31-Jan-2024 | /NLO_props C3PLi_NLOPs | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UB3LYP | 6-31+G(D) 6-31G(D) GEN | -752.3250279; Eh | ||||
31-Jan-2024 | /NLO_props C4PLi_NLOPs | Skjelstad, Bastian Bjerkem | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UB3LYP | 6-31+G(D) 6-31G(D) GEN | -1000.635465; Eh |
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