| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5389457 | Chemical Physics Letters | 2007 | 8 Pages |
Abstract
Graphic representation of DsRed (the first monomer of '1ZGO' in PDB). The pigment moiety located at the center of barrel is drawn with spheres. The excitation energy and emission energy of this system are evaluated by the recently developed approach of configuration interaction singles with perturbative doubles in conjunction with multilayer fragment molecular orbital scheme (MLFMO-CIS(D)). The best calculated results of 2.28Â eV for the former and 2.21Â eV for the latter are in good agreement with the corresponding experimental values of 2.22Â eV and 2.13Â eV.
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Authors
Yuji Mochizuki, Tatsuya Nakano, Shinji Amari, Takeshi Ishikawa, Kiyoshi Tanaka, Minoru Sakurai, Shigenori Tanaka,