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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 11-Sep-2020 | /Gaussian TS2D | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | |||
 | 11-Sep-2020 | /Gaussian TS2E | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | |||
 | 11-Sep-2020 | /Gaussian TS2F | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | |||
 | 11-Sep-2020 | /Gaussian TS2Fbpy | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | |||
 | 11-Sep-2020 | /Gaussian TS5A | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | |||
 | 11-Sep-2020 | /Gaussian TS4A | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | |||
 | 11-Sep-2020 | /Orca TS1Abpy | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | |||
 | 11-Sep-2020 | /Orca 4 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | |||
 | 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 |
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Subject
- 91 Metathesis
- 91 Olefin metathesis
- 90 Arynes
- 90 C-H activation
- 90 DFT
- 90 Homogeneous catalysis
- 90 Palladium
Method
- 1 TD-FC