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 | Ta2O7_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.34143609; Eh | |||
 | 2-Mar-2021 | /Tungsten/W04O15_1H W04O15_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.66334591; Eh | |||
 | 2-Mar-2021 | /Tungsten/W04O15_0H W04O15_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.61835166; Eh | |||
 | 2-Mar-2021 | /Molybdenum/Mo36O128_32H Mo36O128_32H | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - | |||
 | 2-Mar-2021 | /Molybdenum/MoO4_2H MoO4_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
 | 2-Mar-2021 | /Molybdenum/Mo9O38_14H Mo9O38_14H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
 | 2-Mar-2021 | /Molybdenum/Mo9O38_15H Mo9O38_15H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
 | 2-Mar-2021 | /Molybdenum/Mo7O31_14H Mo7O31_14H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
 | 2-Mar-2021 | /Molybdenum/Mo7O31_13H Mo7O31_13H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
 | 2-Mar-2021 | /Water/H5O2 H5O2 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - |
Results 1121-1130 of 1546 (Search time: 0.003 seconds).