Browsing by Subject UV-vis spectroscopy
Showing results 1 to 12 of 12
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Sep-2021 | KO2m_freq | D’Amore, Lorenzo | ADF; | Single point | BP86 | TZP; DZP | - | |||
 | 27-Sep-2021 | KO2m_tddft | D’Amore, Lorenzo | ADF; | Single point | S12g-x PBEc | TZ2P | - | |||
 | 27-Sep-2021 | KO2mT_freq | D’Amore, Lorenzo | ADF; | Single point | BP86 | TZP; DZP | - | |||
 | 27-Sep-2021 | LiO2m_freq | D’Amore, Lorenzo | ADF; | Single point | BP86 | TZP; DZP | - | |||
 | 27-Sep-2021 | LiO2m_tddft | D’Amore, Lorenzo | ADF; | Single point | S12g-x PBEc | TZ2P | - | |||
 | 27-Sep-2021 | LiO2mT_freq | D’Amore, Lorenzo | ADF; | Single point | BP86 | TZP; DZP | - | |||
 | 27-Sep-2021 | NaO2m_freq | D’Amore, Lorenzo | ADF; | Single point | BP86 | TZP; DZP | - | |||
 | 27-Sep-2021 | NaO2m_tddft | D’Amore, Lorenzo | ADF; | Single point | S12g-x PBEc | TZ2P | - | |||
 | 27-Sep-2021 | NaO2mT_freq | D’Amore, Lorenzo | ADF; | Single point | BP86 | TZP; DZP | - | |||
 | 27-Sep-2021 | O2m_freq | D’Amore, Lorenzo | ADF; | Single point | BP86 | TZP; DZP | - | |||
 | 27-Sep-2021 | O2m_tddft | D’Amore, Lorenzo | ADF; | Single point | S12g-x PBEc | TZ2P | - | |||
 | 27-Sep-2021 | O2mT_freq | D’Amore, Lorenzo | ADF; | Single point | BP86 | TZP; DZP | - |