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. |
---|---|---|---|---|---|---|---|---|---|---|---|
4-Jan-2022 | YbCeYb | Garay Ruiz, Diego | ADF; 2019 | Geometry optimization | BP86 | TZP; DZP | - | ||||
4-Jan-2022 | PrPrPr | Garay Ruiz, Diego | ADF; 2019 | Geometry optimization | BP86 | TZP; DZP | - | ||||
4-Jan-2022 | LuLuLu | Garay Ruiz, Diego | ADF; 2019 | Geometry optimization | BP86 | TZP; DZP | - | ||||
4-Jan-2022 | CeHoHo | Garay Ruiz, Diego | ADF; 2019 | Geometry optimization | BP86 | TZP; DZP | - | ||||
4-Jan-2022 | LaErEr | Garay Ruiz, Diego | ADF; 2019 | Geometry optimization | BP86 | TZP; DZP | - | ||||
4-Jan-2022 | CeErEr | Garay Ruiz, Diego | ADF; 2019 | Geometry optimization | BP86 | TZP; DZP | - | ||||
4-Jan-2022 | ErLaEr | Garay Ruiz, Diego | ADF; 2019 | Geometry optimization | BP86 | TZP; DZP | - | ||||
4-Jan-2022 | ErPrEr | Garay Ruiz, Diego | ADF; 2019 | Geometry optimization | BP86 | TZP; DZP | - | ||||
4-Jan-2022 | CeCeCe | Garay Ruiz, Diego | ADF; 2019 | Geometry optimization | BP86 | TZP; DZP | - | ||||
29-Jan-2016 | Structure_of_the_molecular_triangle_2_(ONIOM) | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | ONIOM; BP86; PM6 | 6-311G(d,p); LANL2DZ | -17.6018727927; Eh |
Results 111-120 of 199 (Search time: 0.002 seconds).
Discover
Subject
Calculation type