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Can I read Ab initio simulation of chemical shift effects from metal ion binding in Bacitracin A on EtoBox?
Ab initio simulation of chemical shift effects from metal ion binding in Bacitracin A by Drabls, Finn is a Chemistry article available to read on EtoBox.
What is Ab initio simulation of chemical shift effects from metal ion binding in Bacitracin A about?
Ab initio calculations of a chemical shift at the HF/6-31G(d,p)//B3LYP/6-31G(d) level on a model system representing the interaction between Zn ++ and the thiazoline ring of Bacitracin A is used for studying the binding mode between the metal ion and the ring system. The simulations show that a reinterpretation of the shift effects seen in the NMR spectra of the zinc-Bacitracin A complex may be needed, because the spectra probably indicate that the Zn ++ ion is coordinated by the nitrogen atom of the thiazoline ring rather than the previously assumed sulfur atom.
Who reads Ab initio simulation of chemical shift effects from metal ion binding in Bacitracin A?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- Drabls, Finn
- Publisher
- John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Inc.; Wiley (ISSN 0192-8651)
- Published
- 2000
- Language
- EN
- Field
- Chemistry (Physical Sciences)