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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Oct-2022 | ZrH3-sec-decyl | Mason, Alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | LANL2DZ 6-311G** GENECP | -442.143039772; Eh | |||
 | 17-Oct-2022 | ZrH3-septyl | Mason, Alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | LANL2DZ 6-311G** GENECP | -324.172755971; Eh | |||
 | 17-Oct-2022 | ZrH3-propyl | Mason, Alex | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | LANL2DZ 6-311G** GENECP | -166.876155765; Eh |
Results 11-13 of 13 (Search time: 0.001 seconds).