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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 23-Apr-2018 | /ADF17_calculations/Opt Si_freqs | Roser, Morales | ADF; 2017 | Single point Minimum | DFT | TZP | - | |||
![]() | 23-Apr-2018 | /ADF17_calculations/Opt Siii_freqs | Roser, Morales | ADF; 2017 | Single point Minimum | DFT | TZP | - | |||
![]() | 5-Dec-2016 | /th@c82_ipr8_frequencies th@c82_ipr8_freq | Roser, Morales | ADF; 2013; 01 | Single point Minimum | DFT | TZP | - |
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