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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 M47 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -1890.29464057; Eh | |||
![]() | 15-Oct-2021 | /SP_M06L_GD3_CHCl3 M39 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -1890.24864769; Eh | |||
![]() | 15-Oct-2021 | /SP_M06L_GD3_CHCl3 M38 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -1890.25456162; Eh | |||
![]() | 15-Oct-2021 | /SP_M06L_GD3_CHCl3 M49 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2058.82174308; Eh | |||
![]() | 15-Oct-2021 | /SP_M06L_GD3_CHCl3 M50 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2082.06688487; 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 | |||
![]() | 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 M5 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GENECP | -2632.39259807; 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 |
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