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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 17-Nov-2021 | C05 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -1977.21667736; Eh | |||
![]() | 17-Nov-2021 | C06 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -1864.20182888; Eh | |||
![]() | 17-Nov-2021 | C10 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -3082.96779917; Eh | |||
![]() | 17-Nov-2021 | C11 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -2486.99453848; Eh | |||
![]() | 17-Nov-2021 | C09 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -1577.58855699; Eh | |||
![]() | 17-Nov-2021 | C16 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -5112.07174723; Eh | |||
![]() | 17-Nov-2021 | C15 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -2758.26340237; Eh | |||
![]() | 17-Nov-2021 | C18 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -3350.68195207; Eh | |||
![]() | 17-Nov-2021 | C17 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -1835.87577763; Eh | |||
![]() | 17-Nov-2021 | C19 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP | -2812.47351112; Eh |
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Date issued
- 1 2020
Calculation type