| Author | dc.contributor.author | Matute Morales, Ricardo | |
| Author | dc.contributor.author | Contreras Ramos, Renato | es_CL |
| Author | dc.contributor.author | González, Leticia | es_CL |
| Admission date | dc.date.accessioned | 2010-06-22T15:53:01Z | |
| Available date | dc.date.available | 2010-06-22T15:53:01Z | |
| Publication date | dc.date.issued | 2010 | |
| Cita de ítem | dc.identifier.citation | J. Phys. Chem. Lett. 2010, 1, 796–801 | en_US |
| Identifier | dc.identifier.other | DOI: 10.1021/jz900432m | |
| Identifier | dc.identifier.uri | https://repositorio.uchile.cl/handle/2250/119051 | |
| Abstract | dc.description.abstract | A theoretical approach based on time-dependent density functional
theory (TDDFT) together with a polarizable continuum model for incorporating the
bulk effect of the surrounding environment is used to estimate the excitation
energies for the phytochromobilin chromophore of plant phytochrome. The
TDDFT results reproduce well the experimental values of the absorption maxima
and those of the ratio of the spectroscopic bands (Qband over the Soret band or Q/S
index). Our results suggest that the phytochromobilin within the Pr form of the
phytochrome holoprotein should adopt a semicyclic ZZZssa structure as it does in
bacteria. | en_US |
| Patrocinador | dc.description.sponsorship | L.G. acknowledges the financial support
from the Deutsche Forschungsgemeinschaft (GO 1059/2-1), and
R.A.M. acknowledges the Grants from CONICYTand BECAS CHILE. | en_US |
| Lenguage | dc.language.iso | en | en_US |
| Publisher | dc.publisher | American Chemical Society | en_US |
| Título | dc.title | Time-Dependent DFT on Phytochrome Chromophores: AWay to the Right Conformer | en_US |
| Document type | dc.type | Artículo de revista | |
