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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2017 | linker_pentagon_IR | Melgar, Dolores | ADF; 2012; 01 | Frequencies | DFT | TZP | - | |||
 | 27-Mar-2017 | Linker_frec | Melgar, Dolores | ADF; 2012; 01 | Frequencies | DFT | TZP | - | |||
 | 27-Mar-2017 | pentagon_IR | Melgar, Dolores | ADF; 2010; 01 | Frequencies | DFT | TZP | - | |||
 | 27-Mar-2017 | linker_raman | Melgar, Dolores | ADF; 2010; 01 | Frequencies | DFT | TZP | - | |||
 | 27-Mar-2017 | pore_IR | Melgar, Dolores | ADF; 2010; 01 | Frequencies | DFT | TZP | - | |||
 | 27-Jul-2021 | Nb6O19_3H | Petrus, Enric | ADF; 2019 | Frequencies | B3LYP | TZP | - | |||
| 28-Jul-2021 | Nb6O19_3H | Petrus, Enric | ADF; 2019 | Frequencies | B3LYP | TZP | - |
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