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Spectroscopic and Computational Studies of Co 3+ -Corrinoids: Spectral and Electronic Properties of the B 12 Cofactors and Biologically Relevant Precursors

✍ Scribed by Stich, Troy A.; Brooks, Amanda J.; Buan, Nicole R.; Brunold, Thomas C.


Book ID
127031335
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
532 KB
Volume
125
Category
Article
ISSN
0002-7863

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✍ Lucio Randaccio; Silvano Geremia; Mauro Stener; Daniele Toffoli; Ennio Zangrando πŸ“‚ Article πŸ“… 2002 πŸ› John Wiley and Sons 🌐 English βš– 446 KB πŸ‘ 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