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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
21-Oct-2021 | SiW10_mono-Prod1a | Mateo, Ana | ADF; 2017 | Geometry optimization | BP86 | TZP | - | ||||
21-Oct-2021 | Me-NH2 | Mateo, Ana | ADF; 2017 | Geometry optimization | BP86 | TZP | - | ||||
21-Oct-2021 | SiW10-di-Prod-folded | Mateo, Ana | ADF; 2017 | Geometry optimization | BP86 | TZP | - | ||||
21-Oct-2021 | P2W7-mono-Folded | Mateo, Ana | ADF; 2017 | Geometry optimization | BP86 | TZP | - | ||||
21-Oct-2021 | P2W17-di-Open | Mateo, Ana | ADF; 2017 | Geometry optimization | BP86 | TZP | - | ||||
21-Oct-2021 | P2W17 | Mateo, Ana | ADF; 2017 | Geometry optimization | BP86 | TZP | - | ||||
21-Oct-2021 | decaborate | Mateo, Ana | ADF; 2017 | Geometry optimization | BP86 | TZP | -4.32020304; Eh | ||||
21-Oct-2021 | SiW10_mono-Prod1b | Mateo, Ana | ADF; 2016 | Geometry optimization | BP86 | TZP | - | ||||
21-Oct-2021 | SiW10-mono-Open2 | Mateo, Ana | ADF; 2017 | Geometry optimization | BP86 | TZP | - | ||||
21-Oct-2021 | Me-CO | Mateo, Ana | ADF; 2017 | Geometry optimization | BP86 | TZP | - |
Results 1-10 of 21 (Search time: 0.002 seconds).