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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Jul-2020 | H5O2_BLYP | Petrus, Enric | ADF; 2019 | Geometry optimization | BLYP | TZP | -0.98457151; Eh | |||
 | 24-Jul-2020 | Mo4O13_1H_BLYP | Petrus, Enric | ADF; 2019 | Geometry optimization | BLYP | TZP | -5.01329032; Eh | |||
 | 24-Jul-2020 | Mo1O4_2H_BLYP | Petrus, Enric | ADF; 2019 | Geometry optimization | BLYP | TZP | -1.62516135; Eh | |||
 | 24-Jul-2020 | Mo2O7_2H_BLYP | Petrus, Enric | ADF; 2019 | Geometry optimization | BLYP | TZP | -2.74363097; Eh | |||
 | 24-Jul-2020 | Mo1O4_0H_BLYP | Petrus, Enric | ADF; 2019 | Geometry optimization | BLYP | TZP | -1.65311856; Eh | |||
 | 24-Jul-2020 | H2O_BLYP | Petrus, Enric | ADF; 2019 | Geometry optimization | BLYP | TZP | -0.51207478; Eh | |||
 | 24-Jul-2020 | Mo3O10_2H_BLYP | Petrus, Enric | ADF; 2019 | Geometry optimization | BLYP | TZP | -3.86228075; Eh | |||
 | 24-Jul-2020 | Mo4O13_2H_BLYP | Petrus, Enric | ADF; 2019 | Geometry optimization | BLYP | TZP | -4.96193688; Eh | |||
 | 24-Jul-2020 | Mo5O16_1H_BLYP | Petrus, Enric | ADF; 2019 | Geometry optimization | BLYP | TZP | -6.11317481; Eh | |||
 | 24-Jul-2020 | Mo2O7_0H_BLYP | Petrus, Enric | ADF; 2019 | Geometry optimization | BLYP | TZP | -2.80506691; Eh |
Results 41-50 of 919 (Search time: 0.002 seconds).