Excitation Energies

References

[1]. Li, W.; Dong, H.; Ma, J.; Li, S.* Structures and Spectroscopic Properties of Large Molecules and Condensed-Phase Systems Predicted by Generalized Energy-Based Fragmentation Approach. Acc. Chem. Res. 2021, 54 (1), 169–181. https://doi.org/10.1021/acs.accounts.0c00580.

Results

GFP model [a] GEBF(3.5,5)-TD-wB97X-D/6-31+G(d) Download

Excited energy: 3.19 eV

[a] Model extracted from PDB file of green fluorescent protein (GFP) (A-form, PDB ID: 1EMB)

最近修改 1103004, 2021-06-22

References
Results