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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
8-Jun-2022 | /td_DFT 2x2-1L | Mu, Manting | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RwB97XD-FC | 6-31G(D) 6-31G(D,P) GEN | -615.5695113; Eh | ||||
8-Jun-2022 | /td-DFT 2x2-1L | Mu, Manting | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RwB97XD-FC | 6-31G(D) 6-31G(D,P) GEN | -615.5695113; Eh |
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