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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 M27 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2082.05817223; 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 M26 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -1890.27692650; 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 M36 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -1890.25677377; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M44 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2082.07482431; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M45 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -1890.30319094; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M46 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -1890.30102442; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M64 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -1890.32517648; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M72 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GENECP | -2352.52036702; Eh |
Results 101-110 of 264 (Search time: 0.001 seconds).
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Subject
- 91 Metathesis
- 91 Olefin metathesis
- 90 Arynes
- 90 C-H activation
- 90 DFT
- 90 Homogeneous catalysis
- 90 Palladium
Program name
- 264 Gaussian
Method
- 1 TD-FC