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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
8-Oct-2019 | /Decarboxylation/M06_2X/Scan2 Scan2 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Minimum | - | 6-311G(D,P) | -456.873273765; Eh | ||||
8-Oct-2019 | /Decarboxylation/M06_2X/Scan/Zoom/Zoom/2D/FAIL FAIL | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Minimum | - | 6-311G(D,P) | -456.868928909; Eh |
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