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Hybrid Density Functional Studies of Phenoxyl Free Radicals Modeling α-Tocopheroxyl

✍ Scribed by O'Malley, Patrick J.

Book ID
126859693
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
89 KB
Volume
106
Category
Article
ISSN
0022-3654

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Hybrid density functional studies of a b
Hybrid density functional studies of a bacteriopheophytina model and its anion radical form: Geometry, spin densities, and hyperfine couplings
✍ O'malley, Patrick J. 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 208 KB 👁 2 views

Hybrid density functional calculations are performed on models of the bacteriopheophytin a molecule, which acts as an electron acceptor in the initial electron transfer events of bacterial photosynthesis. The geometry of the neutral and one-electron reduced free radical form are calculated. Little v