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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Jul-2021 | Nb7O22_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -10.32369093; Eh | |||
 | 29-Jul-2021 | NbO3_3H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.20018597; Eh | |||
 | 29-Jul-2021 | Nb9O27_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -12.63142418; Eh | |||
 | 29-Jul-2021 | Nb8O25_3H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
 | 29-Jul-2021 | Ta10O28_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -13.27735671; Eh | |||
 | 29-Jul-2021 | V06O19_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -8.26597188; Eh | |||
 | 29-Jul-2021 | V07O21_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -9.30158028; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W03O10H2_intlineal W03O10H2_intlineal | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -4.28198562; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W03O10H1_intlineal W03O10H1_intlineal | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -4.31260512; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W04O14H2_int2 W04O14H2_int2 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.14459585; Eh |
Results 591-600 of 686 (Search time: 0.002 seconds).