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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 M14 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -1890.27996398; Eh | |||
![]() | 15-Oct-2021 | /SP_M06L_GD3_CHCl3 M31 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2058.79545423; Eh | |||
![]() | 15-Oct-2021 | /SP_M06L_GD3_CHCl3 M21 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2082.09000081; Eh | |||
![]() | 15-Oct-2021 | /SP_M06L_GD3_CHCl3 M25 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -1890.27723327; Eh | |||
![]() | 15-Oct-2021 | /SP_M06L_GD3_CHCl3 M22 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -1890.30790330; Eh | |||
![]() | 15-Oct-2021 | /SP_M06L_GD3_CHCl3 M35 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2082.03297650; Eh | |||
![]() | 15-Oct-2021 | /SP_M06L_GD3_CHCl3 M42 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2082.07413930; Eh | |||
![]() | 15-Oct-2021 | /SP_M06L_GD3_CHCl3 M40 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2058.83269445; Eh | |||
![]() | 15-Oct-2021 | /SP_M06L_GD3_CHCl3 M43 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2082.07678652; Eh | |||
![]() | 15-Oct-2021 | /SP_M06L_GD3_CHCl3 M41 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2082.07711017; Eh |
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- 189 Metathesis
- 189 Olefin metathesis
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- 189 Gaussian