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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 12-Nov-2019 | H2-from-_H6PtW6O24__3e_3H(Pt) | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2337.26968539; 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(1e_1H) | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2336.10393073; Eh | |||
![]() | 12-Nov-2019 | H3PtW6O24 | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2334.11032924; Eh | |||
![]() | 12-Nov-2019 | H6PtW6O24(4e_4H-O) | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2337.81974956; 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 | |||
![]() | 1-Nov-2019 | PtW6O24 | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D) LANL2DZ GEN | -2332.59459446; 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 | H4PtW6O24 | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2334.58229528; Eh | |||
![]() | 12-Nov-2019 | H1PtW6O24 | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2333.11271789; Eh |
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