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Honours Projects 2010

Dr David Wilson

Modelling NMR and molecular magnetic properties

Propeller shape of per-halogenated naphthalenes.

Modern computational methods can provide accurate NMR properties for any nuclei. There is a large range of applications for modelling NMR and magnetic properties.

Some examples are:
(i) modelling NMR of interesting boron compounds (including boron trihalides)
(ii) substituted aromatic compounds (in particular perhalogenated compounds)
(iii) modelling solvent effect on the structure of virginiamycin
(iv) modelling NMR and magnetizability of metallocenes