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Ground and Excited States of Retinal Schiff Base Chromophores by Multiconfigurational Perturbation Theory
We have studied the wavelength dependence of retinal Schiff base absorbencies on the protonation state of the chromophore at the multiconfigurational level of theory using second order perturbation theory (CASPT2) within an atomic natural orbital basis set on MP2 optimized geometries. Quantitative a...
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| Hlavní autoři: | , , |
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| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
Biophysical Society
2006
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1479055/ https://ncbi.nlm.nih.gov/pubmed/16648170 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.106.087122 |
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