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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
17-Nov-2021 | C02 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -3275.74930820; Eh | ||||
17-Nov-2021 | C03 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -2150.76781680; Eh | ||||
17-Nov-2021 | C01 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -2489.80683223; 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 | C13 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -2892.59668182; 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 | C14 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -3217.79909064; Eh | ||||
17-Nov-2021 | C22 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -1952.99491093; Eh | ||||
17-Nov-2021 | C24 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -1874.42298978; Eh | ||||
17-Nov-2021 | C21 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP DEF2SVP/W06 | -3140.65141569; Eh |
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