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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 1-Dec-2017 | /Mechanisms/No_Al/Water_Catalyzed/TS_Water/Freq Freq | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RwB97XD | - | -533.309771966; Eh |
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