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. |
---|---|---|---|---|---|---|---|---|---|---|---|
6-Mar-2021 | M-TS0-4-H2 | Yin, Fangqian | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | UM06L | 6-31G* GENECP | -1416.81910406; Eh | ||||
6-Mar-2021 | M5 | Yin, Fangqian | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UM06L | 6-31G* GENECP | -1494.26166950; Eh | ||||
6-Mar-2021 | N-TS1_-2-H2 | Yin, Fangqian | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | UM06L | 6-31G* GENECP | -1495.44311440; Eh | ||||
6-Mar-2021 | N1_-H2 | Yin, Fangqian | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UM06L | 6-31G* GENECP | -1495.47663945; Eh | ||||
6-Mar-2021 | A-TS1_-2 | Yin, Fangqian | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | UM06L | 6-31G* GENECP | -1416.81777902; Eh | ||||
6-Mar-2021 | A1_ | Yin, Fangqian | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UM06L | 6-31G* GENECP | -1416.83569158; Eh | ||||
6-Mar-2021 | A-TS6_-7-H2 | Yin, Fangqian | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | UM06L | 6-31G* GENECP | -1418.01871106; Eh | ||||
6-Mar-2021 | A-TS5-6-H2 | Yin, Fangqian | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | UM06L | 6-31G* GENECP | -1418.00374863; Eh | ||||
6-Mar-2021 | A6_-H2 | Yin, Fangqian | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UM06L | 6-31G* GENECP | -1418.04019925; Eh | ||||
6-Mar-2021 | A6-H2 | Yin, Fangqian | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | UM06L | 6-31G* GENECP | -1418.04100491; Eh |
Results 11-20 of 70 (Search time: 0.001 seconds).
Discover
Calculation type