Search
Add filters:
Use filters to refine the search results.
- previous
- 1
- next
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
13-Sep-2023 | zrcl5-H2eta1_vacuum1 | Morán, Lucía | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | RB3LYP | 6-31+G* SDD GENECP | -2349.66847119; Eh | ||||
13-Sep-2023 | ticl3_H2eta1_vacuum1 | Morán, Lucía | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | RB3LYP | 6-31+G* SDD GENECP | -1439.97325660; Eh | ||||
13-Sep-2023 | ircoph32_H2eta1_vacuum1 | Morán, Lucía | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | RB3LYP | 6-31+G* SDD GENECP | -905.021697627; Eh | ||||
13-Sep-2023 | fecl2-H2eta1_vacuum | Morán, Lucía | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | UB3LYP | 6-31+G* SDD GENECP | -1045.23427025; Eh | ||||
13-Sep-2023 | tame4_H2eta1_vac | Morán, Lucía | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | RB3LYP | 6-31+G* SDD GENECP | -217.537537623; Eh | ||||
13-Sep-2023 | conh35-H2eta1_vacuum1 | Morán, Lucía | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | RB3LYP | 6-31+G* SDD GENECP | -428.818752865; Eh | ||||
13-Sep-2023 | auph3-H2eta1_vacuum | Morán, Lucía | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | RB3LYP | 6-31+G* SDD GENECP | -479.860654162; Eh | ||||
13-Sep-2023 | cunh33-H2eta1_vacuum | Morán, Lucía | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | UB3LYP | 6-31+G* SDD GENECP | -367.653479072; Eh | ||||
13-Sep-2023 | pdph3-H2eta1_vacuum | Morán, Lucía | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | RB3LYP | 6-31+G* SDD GENECP | -472.266871641; Eh | ||||
13-Sep-2023 | h2_eta1_pdhph32_vacuum | Morán, Lucía | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | RB3LYP | 6-31+G* SDD GENECP | -815.794580179; Eh |
Results 1-10 of 10 (Search time: 0.002 seconds).
Discover
Subject