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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Oct-2021 | /SP_M06L_GD3_CHCl3 trans-stilbene | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -540.853662768; Eh | |||
 | 15-Oct-2021 | /SP_M06L_GD3_CHCl3 M13 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2082.06357723; Eh | |||
 | 15-Oct-2021 | /SP_M06L_GD3_CHCl3 M11 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -1811.65802668; Eh | |||
 | 15-Oct-2021 | /SP_M06L_GD3_CHCl3 2-Isopropoxy-5-nitrostyrene | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -707.535013267; Eh | |||
 | 15-Oct-2021 | /SP_M06L_GD3_CHCl3 styrene | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -309.730350662; Eh | |||
 | 15-Oct-2021 | /SP_M06L_GD3_CHCl3 M8 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2440.60097019; Eh | |||
 | 15-Oct-2021 | /SP_M06L_GD3_CHCl3 M6 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2440.61204428; Eh | |||
 | 15-Oct-2021 | /SP_M06L_GD3_CHCl3 M1 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -925.637231998; Eh | |||
 | 15-Oct-2021 | /SP_M06L_GD3_CHCl3 M2 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -948.880231765; Eh | |||
 | 15-Oct-2021 | /SP_M06L_GD3_CHCl3 M9 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -1980.18520976; Eh |
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- 184 Arynes
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- 184 Homogeneous catalysis
- 184 Palladium
- 91 Metathesis
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- 652 Gaussian
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- 2 TD-FC