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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 TS1CbpyEXP | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | ||||
11-Sep-2020 | /Gaussian H2O | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | ||||
11-Sep-2020 | /Gaussian 11EXP | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | ||||
11-Sep-2020 | /Gaussian TS2Abpy | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | ||||
11-Sep-2020 | /Gaussian TS5Bbpy | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | ||||
11-Sep-2020 | /Gaussian TS2A | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | ||||
11-Sep-2020 | /Gaussian TS3Abpy | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | ||||
11-Sep-2020 | /Gaussian TS1AbpyEXP | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | ||||
11-Sep-2020 | /Gaussian 15 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | ||||
11-Sep-2020 | /Gaussian 12 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - |
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Subject
- 91 Metathesis
- 91 Olefin metathesis
- 87 Arynes
- 87 C-H activation
- 87 DFT
- 87 Homogeneous catalysis
- 87 Palladium
Program name
- 260 Gaussian