Article
Electrostatic control of the photoisomerization efficiency and optical properties in visual pigments: on the role of counterion quenching.
Journal of the American Chemical Society - 15 Apr 2009
Tomasello Gaia, Olaso-González Gloria, Altoè Piero, Stenta Marco, Serrano-Andrés Luis, Merchán Manuela, Orlandi Giorgio, Bottoni Andrea, Garavelli Marco
Abstract excerpt
Hybrid QM(CASPT2//CASSCF/6-31G*)/MM(Amber) computations have been used to map the photoisomerization path of the retinal chromophore in Rhodopsin and explore the reasons behind the photoactivity efficiency and spectral control in the visual pigments. It is shown that while the electrostatic environment plays a central role in properly tuning the optical properties of the chromophore, it is also critical in...
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