Browsing by Subject Cluster compounds
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Mar-2023 | /Minima_Calculations/H4O2 H4O2 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
 | 1-Mar-2023 | /Minima_Calculations/H5O2 H5O2 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
 | 1-Mar-2023 | /Minima_Calculations/W01O4H0_int W01O4H0_int | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.79932939; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W01O4H1_int W01O4H1_int | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.80181827; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W01O4H2_int W01O4H2_int | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.77731672; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W01O5H4_int W01O5H4_int | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -2.31348523; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W01O6H6_int W01O6H6_int | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -2.84818052; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W01O6H7_int W01O6H7_int | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -2.80000769; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W02O7H0_int W02O7H0_int | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.08328152; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W02O7H1_int W02O7H1_int | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.06055492; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W02O7H2_int W02O7H2_int | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.02980293; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W02O7H2_int/W02O7H2_int2 W02O7H2_int2 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.00719458; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W02O8H1_int W02O8H1_int | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.60719774; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W02O8H2_int W02O8H2_int | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
 | 1-Mar-2023 | /Minima_Calculations/W03O10H0_intlineal W03O10H0_intlineal | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -4.34186081; 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/W03O10H2_intlineal W03O10H2_intlineal | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -4.28198562; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W03O10H2_intlineal2 W03O10H2_intlineal2 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -4.25073323; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W03O11H0_intlineal W03O11H0_intlineal | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -4.87660839; Eh | |||
 | 1-Mar-2023 | /Minima_Calculations/W03O11H1_intlineal W03O11H1_intlineal | Petrus, Enric | ADF; 2019; 302 | Geometry optimization | PBE | TZP | - |