Browsing by Author "Smith, Derek W."
Now showing items 1-2 of 2
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Correlations between MO eigenvectors and enthalpies of formation for simple organic substances
(Elsevier, 2009)Bondingness, originally used in a qualitative analysis of the barrier to rotation in ethane, has been used to model ΔfH° (g) for simple organic substances. The model is parameterised with a set of 345 molecules including ... -
A structural, spectroscopic and theoretical study of the triphenylphosphine chalcogenide complexes of tungsten carbonyl, [W(XPPh3)(CO)5], X=O, S, Se
(Elsevier B.V., 2004-02-01)The series [W(XPPh3)(CO)5], X=O, S, Se has been structurally determined by X-ray crystallography and fully characterised spectroscopically to provide data for comparing the bonding of the Ph3PX ligands to the metal. The ...
