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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
2-Mar-2021 | /Tungsten/W04O15_2H W04O15_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.67907438; Eh | ||||
2-Mar-2021 | /Tungsten/W3O10_2H W3O10_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -4.28198562; Eh | ||||
2-Mar-2021 | /Tungsten/W4O13_1H W4O13_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.58794754; Eh | ||||
2-Mar-2021 | /Tungsten/W5O17_0H W5O17_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -7.44794760; Eh | ||||
2-Mar-2021 | /Tungsten/W3O11_2H W3O11_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -4.89810842; Eh | ||||
2-Mar-2021 | /Tungsten/W6O22_1H W6O22_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -9.73756539; Eh | ||||
2-Mar-2021 | /Tungsten/W5O16_1H W5O16_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.84447842; Eh | ||||
27-Jul-2021 | V04O12_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.32789309; Eh | ||||
27-Jul-2021 | V04O13_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.83822736; Eh | ||||
27-Jul-2021 | V04O12_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.33475892; Eh |
Results 1-10 of 642 (Search time: 0.002 seconds).