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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/TS/FAIL_FromZoom2 FAIL_FromZoom2 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | - | 6-311G(D,P) | -456.752195714; Eh | |||
| 8-Oct-2019 | /Decarboxylation/M06_2X/Scan2/Scan_Frozen Scan_Frozen | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | - | 6-311G(D,P) | -456.854271286; Eh | |||
| 8-Oct-2019 | /Decarboxylation/M06_2X/Scan Scan | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | - | 6-311G(D,P) | -456.772492515; Eh | |||
| 8-Oct-2019 | /Decarboxylation/M06_2X/TS/From2D18 From2D18 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | - | 6-311G(D,P) | -456.750264008; Eh | |||
| 8-Oct-2019 | /Decarboxylation/M06_2X/Scan/Zoom/Zoom/2D 2D | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | - | 6-311G(D,P) | -456.776199092; Eh | |||
| 8-Oct-2019 | /Decarboxylation/M06_2X/TS/FAIL_FromZoom FAIL_FromZoom | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | - | 6-311G(D,P) | -456.751597239; Eh | |||
| 8-Oct-2019 | /Decarboxylation/M06_2X/Scan/Zoom/Zoom Zoom | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | - | 6-311G(D,P) | -456.862975767; Eh | |||
| 8-Oct-2019 | /Decarboxylation/M06_2X/Scan/Zoom Zoom | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | - | 6-311G(D,P) | -456.868645153; Eh | |||
| 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 |
Results 1-10 of 12 (Search time: 0.001 seconds).