## Abstract ^51^V NMR chemical shifts calculated from QM/MM‐optimized (QM=quantum mechanical; MM=molecular mechanical) models of vanadium‐dependent chloroperoxidase (VCPO) are presented. An extensive number of protonation states for the vanadium cofactor (active site of the protein) and a number of
✦ LIBER ✦
51 V NMR Chemical Shifts Calculated from QM/MM Models of Peroxo Forms of Vanadium Haloperoxidases
✍ Scribed by Geethalakshmi, K. R.; Waller, Mark P.; Thiel, Walter; Bühl, Michael
- Book ID
- 127334084
- Publisher
- American Chemical Society
- Year
- 2009
- Tongue
- English
- Weight
- 550 KB
- Volume
- 113
- Category
- Article
- ISSN
- 0022-3654
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
51V NMR Chemical Shifts Calculated from
✍
Mark P. Waller; Michael Bühl; K. R. Geethalakshmi; Dongqi Wang; Walter Thiel
📂
Article
📅
2007
🏛
John Wiley and Sons
🌐
English
⚖ 348 KB
Cover Picture: 51V NMR Chemical Shifts C
✍
Mark P. Waller; Michael Bühl; K. R. Geethalakshmi; Dongqi Wang; Walter Thiel
📂
Article
📅
2007
🏛
John Wiley and Sons
🌐
English
⚖ 417 KB
51 V NMR Chemical Shifts from Quantum-Me
✍
Waller, Mark P.; Geethalakshmi, K. R.; Bühl, Michael
📂
Article
📅
2008
🏛
American Chemical Society
🌐
English
⚖ 334 KB
Studies directed toward the prediction o
✍
Valeria Conte; Fulvio Di Furia; Stefano Moro
📂
Article
📅
1995
🏛
Elsevier Science
🌐
English
⚖ 968 KB
The "V-NMR spectroscopic behavior in water of a series of vanadium peroxo complexes was investigated. Monoperoxo vanadium complexes containing bidentate ligands in which the two binding sites are either oxygen atoms (0 f~ 0 ligands) or one oxygen and one nitrogen atom (N n 0 ligands) and diperoxo va