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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 19-Nov-2020 | 18 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RM06L | DEF2TZVP DEF2TZVP/W06 | -1405.82146168; Eh | |||
![]() | 19-Nov-2020 | 17 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RM06L | DEF2TZVP DEF2TZVP/W06 | -1518.97020041; Eh | |||
![]() | 22-Aug-2022 | /Gaussian 11 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -1847.13143685; Eh | |||
![]() | 22-Aug-2022 | /Gaussian 10 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -1847.62695151; Eh | |||
![]() | 22-Aug-2022 | /Gaussian 9 | von Wolff, Niklas | Gaussian; 16; AM64L-G16RevC.01 | Geometry optimization Minimum | UM06L | DEF2SVP DEF2SVP/W06 | -1558.22593777; Eh | |||
![]() | 22-Aug-2022 | /Gaussian 8 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UM06L | DEF2SVP DEF2SVP/W06 | -1403.28607758; Eh | |||
![]() | 22-Aug-2022 | /Gaussian EtOH | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -154.903570378; Eh | |||
![]() | 22-Aug-2022 | /Gaussian Ethanal | von Wolff, Niklas | Gaussian; 16; AM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -153.701338874; Eh | |||
![]() | 22-Aug-2022 | /Gaussian H2 | von Wolff, Niklas | Gaussian; 16; AM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -1.16681514887; Eh | |||
![]() | 22-Aug-2022 | /Gaussian 6 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UM06L | DEF2SVP DEF2SVP/W06 | -1404.02223640; Eh |
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