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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
26-Jun-2024 | /gaussian_without_au/single_point_energy A_Stilb_trans | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM052X | DEF2TZVP | -2646.53572143; Eh | ||||
26-Jun-2024 | /gaussian_without_au/single_point_energy A_BiPh_cis | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM052X | DEF2TZVP | -2452.34984115; Eh | ||||
26-Jun-2024 | /gaussian_without_au/single_point_energy A_Stilb_cis | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM052X | DEF2TZVP | -2646.53555761; Eh | ||||
26-Jun-2024 | /gaussian_without_au/single_point_energy A_BiPh_trans | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM052X | DEF2TZVP | -2452.34287071; Eh |
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