## Abstract We report geometries and vertical excitation energies for the red and green chromophores of the DsRed.M1 protein in the gas phase and in the solvated protein environment. Geometries are optimized using density functional theory (DFT, B3LYP functional) for the isolated chromophores and c
A QM/MM study on the spinach plastocyanin: Redox properties and absorption spectra
β Scribed by Antonio Monari; Thibaut Very; Jean-Louis Rivail; Xavier Assfeld
- Book ID
- 116380049
- Publisher
- Elsevier
- Year
- 2012
- Tongue
- English
- Weight
- 768 KB
- Volume
- 990
- Category
- Article
- ISSN
- 2210-271X
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