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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 TS2Abpy | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | ||||
11-Sep-2020 | /Gaussian TS2Bbpy | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | ||||
11-Sep-2020 | /Gaussian TS5B | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | ||||
11-Sep-2020 | /Gaussian TS4Cbpy | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | ||||
11-Sep-2020 | /Gaussian TS3C | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | ||||
11-Sep-2020 | /Gaussian TS3A | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | ||||
11-Sep-2020 | /Gaussian TS1DEXP | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | ||||
11-Sep-2020 | /Gaussian TS1CEXP | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | ||||
11-Sep-2020 | /Gaussian TS1Cbpy | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - | ||||
11-Sep-2020 | /Gaussian TS1C | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP/W06 | - |
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