Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
29-Oct-2019 | H2-from-H6PtW6O24(3e_3H) | Lang, Zhongling | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2337.26968539; Eh | ||||
29-Oct-2019 | TS-H6PtW6O24(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 | ||||
29-Oct-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 | ||||
29-Oct-2019 | H2-S3-from-H6PtW6O24(4e_4H) | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2337.86196562; Eh | ||||
29-Oct-2019 | H6PtW6O24(3e_3H)-O | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2337.27907128; 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 | H6PtW6O24 | Lang, Zhongling | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D) 6-31G(D,P) LANL2DZ GEN | -2335.47766122; Eh | ||||
29-Oct-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 | ||||
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 | TS-H6PtW6O24(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 |
Results 1-10 of 22 (Search time: 0.001 seconds).
Discover
Program name
- 22 Gaussian
Calculation type