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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
24-Jul-2020 | Mo5O17_0H_BLYP | Petrus, Enric | ADF; 2019 | Geometry optimization | BLYP | TZP | -6.70311777; Eh | ||||
24-Jul-2020 | Mo7O24_2H_BLYP | Petrus, Enric | ADF; 2019 | Geometry optimization | BLYP | TZP | -9.44280218; Eh | ||||
24-Jul-2020 | Mo7O23_2H_BLYP | Petrus, Enric | ADF; 2019 | Geometry optimization | BLYP | TZP | -8.88080961; Eh | ||||
24-Jul-2020 | Mo8O26_1H_BLYP | Petrus, Enric | ADF; 2019 | Geometry optimization | BLYP | TZP | -10.06558157; Eh | ||||
24-Jul-2020 | Mo7O24_1H_BLYP | Petrus, Enric | ADF; 2019 | Geometry optimization | BLYP | TZP | -9.45498228; Eh | ||||
24-Jul-2020 | Mo7O24_0H_BLYP | Petrus, Enric | ADF; 2019 | Geometry optimization | BLYP | TZP | -9.45255799; Eh | ||||
24-Jul-2020 | Mo8O26_0H_BLYP | Petrus, Enric | ADF; 2019 | Geometry optimization | BLYP | TZP | -10.07670436; Eh | ||||
24-Jul-2020 | Mo6O20_2H_BLYP | Petrus, Enric | ADF; 2019 | Geometry optimization | BLYP | TZP | -7.78808229; Eh | ||||
24-Jul-2020 | Mo7O23_1H_BLYP | Petrus, Enric | ADF; 2019 | Geometry optimization | BLYP | TZP | -8.94024405; Eh | ||||
24-Jul-2020 | Mo6O20_1H_BLYP | Petrus, Enric | ADF; 2019 | Geometry optimization | BLYP | TZP | -7.81717490; Eh |
Results 21-30 of 34 (Search time: 0.001 seconds).