W
William Moyes
Researcher at University of Edinburgh
Publications - 11
Citations - 230
William Moyes is an academic researcher from University of Edinburgh. The author has contributed to research in topics: Ab initio quantum chemistry methods & Ab initio. The author has an hindex of 6, co-authored 11 publications receiving 226 citations.
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The electronic structure of substituted benzenes; AB initio calculations and photoelectron spectra for the methyl- and fluoro-benzenes and fluorotoluenes
TL;DR: In this article, the valence shell orbital energies for the various title compounds are assigned by a combination of He(I) and He(II) photoelectron spectra and ab initio MO calculations of double and single zeta quality.
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The electronic structure of substituted benzenes; ab initio calculations and photoelectron spectra for phenol, the methyl- and fluoro-derivatives, and the dihydroxybenzenes
TL;DR: In this article, the valence shell orbital energies for the ten title compounds were investigated by a combination of He(I), and He(II) photoelectron spectra and ab initio MO calculations of single and double zeta quality.
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The electronic structure of substituted benzenes; a study of aniline, the toluidines, phenylenediamines and fluoroanilines by photoelectron spectroscopy and ab initio calculations
TL;DR: The ten title compounds have been investigated by a combination of He(I) and He(II) photoelectron spectroscopy and ab initio molecular orbital studies, of single and double zeta quality as discussed by the authors.
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The electronic structure of conjugated molecules. Non-empirical calculations for the benzenium, pyridinium, pyrylium, and thiopyrylium cations and a comparison of the last with phosphorin
TL;DR: In this article, non-empirical calculations on the title compounds and of the allyl carbonium ion are reported, where the role of the 3d-orbitals is that of polarisation functions rather than strongly bonding orbitals.
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The electronic structure of substituted benzenes; ab initio calculations and photoelectron spectra for nitrobenzene, the nitrotoluenes, dinitrobenzenes and fluoronitrobenzenes
TL;DR: In this article, the photoelectron spectra of the title compounds have been investigated by He(I) and He(II) spectroscopy and by ab initio MO calculations.