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-Aug-2020 | /freq/intermediates/Ag/I fcc | Pablo-García, Sergio | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -103.06256785; eV | ||||
6-Aug-2020 | /freq/intermediates/Ag/F top | Pablo-García, Sergio | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -103.61229329; eV | ||||
6-Aug-2020 | /freq/intermediates/Ag/F hcp | Pablo-García, Sergio | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -104.06967521; eV | ||||
6-Aug-2020 | /freq/intermediates/Ag/F fcc | Pablo-García, Sergio | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -104.13317020; eV | ||||
6-Aug-2020 | /freq/intermediates/Ag/Cl top | Pablo-García, Sergio | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -102.88941694; eV | ||||
6-Aug-2020 | /freq/intermediates/Ag/Cl hcp | Pablo-García, Sergio | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -103.36799447; eV | ||||
6-Aug-2020 | /freq/intermediates/Ag/Cl fcc | Pablo-García, Sergio | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -103.41016128; eV | ||||
6-Aug-2020 | /freq/intermediates/Ag/CI top | Pablo-García, Sergio | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -107.05756339; eV | ||||
6-Aug-2020 | /freq/intermediates/Ag/CI hcp | Pablo-García, Sergio | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -108.50590111; eV | ||||
6-Aug-2020 | /freq/intermediates/Ag/CI fcc | Pablo-García, Sergio | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -108.55884159; eV |
Results 41-50 of 574 (Search time: 0.001 seconds).