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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
24-Apr-2019 | G32_P109_OH21 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UwB97XD | 6-31g(d,p); 6-31+g(d,p) | -1947.86832985; Eh | ||||
24-Apr-2019 | P12_P109_OOH-32 | Mates Torres, Eric | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | - | 6-31g(d,p); 6-31+g(d,p) | -2022.55638835; Eh |
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