Electronic Properties of the Axial CoβC
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Lucio Randaccio; Silvano Geremia; Mauro Stener; Daniele Toffoli; Ennio Zangrando
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Article
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2002
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John Wiley and Sons
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English
β 446 KB
π 2 views
The numerous accurate structural data of cobalamins now available allows us to optimize the geometry of these systems, based on a simplified model by using density functional theory (DFT) calculations. This approach, which reproduces the trend of the experimental distances derived from EXAFS and X-r