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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Nov-2019 | H6PtW6O24(3e_3H-Pt) | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2337.27899309; Eh | |||
 | 12-Nov-2019 | H6PtW6O24(4e_4H-Pt) | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2337.82414427; Eh | |||
 | 12-Nov-2019 | H6PtW6O24(3e_3H-O) | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2337.27501553; Eh | |||
 | 12-Nov-2019 | H6PtW6O24(2e_2H)-H2 | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2336.64659385; Eh | |||
 | 12-Nov-2019 | H6PtW6O24(2e_2H) | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2336.73112094; Eh | |||
 | 12-Nov-2019 | TS-4e-4H | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | UM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2337.81787444; Eh | |||
 | 12-Nov-2019 | TS-3e-3H | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | UM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2337.21884799; Eh | |||
 | 12-Nov-2019 | H2-S3-from-_H6PtW6O24_4e_4H(Pt) | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2337.86196562; Eh | |||
 | 12-Nov-2019 | H2-S1-from-_H6PtW6O24_4e_4H(Pt) | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2337.88047457; Eh | |||
 | 12-Nov-2019 | IRC-TS-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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