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Erratum to “Modelling the active sites in vanadyl pyrophosphate”

✍ Scribed by D.J. Thompson; M.O. Fanning; B.K. Hodnett


Book ID
104422385
Publisher
Elsevier Science
Year
2003
Tongue
English
Weight
30 KB
Volume
198
Category
Article
ISSN
1381-1169

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Modelling the active sites in vanadyl py
✍ D.J. Thompson; M.O. Fanning; B.K. Hodnett 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 677 KB

The ability of the vanadyl pyrophosphate (1 0 0) surface to selectively activate n-butane in the slow step of paraffin oxyfunctionalisation was investigated. Quantum chemical calculations were performed on small cluster models for orthophosphate and pyrophosphate surface terminations. Electrostatic