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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
8-Oct-2019 | /Racemization/TMA_Cat/PM6/TS2/Freq2 Freq2 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RPM6 | VSTO-6G ZDO | -0.298888571472; Eh | ||||
8-Oct-2019 | /Racemization/TMA_Cat/PM6/TS2/Freq Freq | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RPM6 | VSTO-6G ZDO | -0.298806546851; Eh |
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- 2 Gaussian