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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
4-Jan-2022 | Pyridine | Garay Ruiz, Diego | ADF; 2019 | Geometry optimization | BP86 | DZP; TZP | - | ||||
4-Jan-2022 | CeYbYb | Garay Ruiz, Diego | ADF; 2019 | Geometry optimization | BP86 | TZP; DZP | - | ||||
4-Jan-2022 | CeHoCe | Garay Ruiz, Diego | ADF; 2019 | Geometry optimization | BP86 | TZP; DZP | - | ||||
4-Jan-2022 | LaErLa | Garay Ruiz, Diego | ADF; 2019 | Geometry optimization | BP86 | TZP; DZP | - | ||||
4-Jan-2022 | ErErEr | Garay Ruiz, Diego | ADF; 2019 | Geometry optimization | BP86 | TZP; DZP | - | ||||
4-Jan-2022 | LaLaLa | Garay Ruiz, Diego | ADF; 2019 | Geometry optimization | BP86 | TZP; DZP | - | ||||
4-Jan-2022 | CeLuLu | Garay Ruiz, Diego | ADF; 2019 | Geometry optimization | BP86 | TZP; DZP | - | ||||
4-Jan-2022 | CeErCe | Garay Ruiz, Diego | ADF; 2019 | Geometry optimization | BP86 | TZP; DZP | - | ||||
4-Jan-2022 | PrErPr | Garay Ruiz, Diego | ADF; 2019 | Geometry optimization | BP86 | TZP; DZP | - | ||||
4-Jan-2022 | HoCeHo | Garay Ruiz, Diego | ADF; 2019 | Geometry optimization | BP86 | TZP; DZP | - |
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