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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
29-Oct-2019 | IRC-reverse-TS-H6PtW6O24(4e_4H) | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | - | 6-31G(D) 6-31G(D,P) LANL2DZ | -2337.84207751; Eh | ||||
29-Oct-2019 | IRC-forward-TS-H6PtW6O24(4e_4H) | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | - | 6-31G(D) 6-31G(D,P) LANL2DZ | -2337.84706623; Eh | ||||
1-Nov-2019 | IRC-TS-H6PtW6O24-3e_3H | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | - | 6-31G(D) 6-31G(D,P) LANL2DZ | -2337.25490668; Eh |
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