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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Oct-2019 | H2-from-H6PtW6O24(2e_2H) | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2336.64659385; Eh | |||
 | 29-Oct-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 | |||
 | 29-Oct-2019 | H5PtW6O24 | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2335.03881009; Eh | |||
 | 29-Oct-2019 | H6PtW6O24 | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2335.47766122; 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 | |||
 | 24-Jun-2019 | Hydride_transfer | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31+G** GENECP | -1940.40828088; Eh | |||
 | 24-Jun-2019 | N-methylformanilide-trans | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GEN | -439.965178533; Eh | |||
 | 24-Jun-2019 | Mo-10-alt2 | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -2225.50729563; Eh | |||
 | 24-Jun-2019 | Proton_transfer | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RM06 | 6-31+G** GENECP | -1940.43500138; Eh |
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