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Publications

  • Vibrational spectroscopy and quantum chemical studies of 1,6,7,12,13,18-hexaazatrinaphthylene and related compounds

    Authors
    Keith Gordon, G. David, T.J. Walsh
    Journal
    Spectrochimica Acta
    Year
    2009
    The spectral properties of 1,6,7,12,13,18-hexaazatrinaphthylene (HATN) and a number of related compounds are modeled using density functional theory, B3LYP. The calculations predict the frequencies wi... REGISTER NOW TO SEE MORE
  • Altitudinal patterns of vegetation, flora, life forms, and environments in the alpine zone of the Fiord Ecological Region, New Zealand

    Authors
    Alan Mark, T. Maegli, K.J.M. Dickinson, S. Porter, J.J. Piggott, P. Michel
    Journal
    New Zealand Journal of Botany
    Year
    2008
    The altitudinal zonation patterns of vegetation structure, vascular flora, and life/growth forms were comprehensively assessed in relation to temperature and soil factors from treeline (1040 m) to the... REGISTER NOW TO SEE MORE
  • Calculated band profiles of the OH-stretching transitions in water dimer

    Authors
    H.G. Kjaergaard, A.L. Garden, L. Halonen
    Journal
    Journal of Physical Chemistry A
    Year
    2008
    We have calculated the band profiles of the OH-stretching fundamental and overtone transitions in the proton donor unit of the water dimer complex. We have used a local mode Hamiltonian that includes ... REGISTER NOW TO SEE MORE
  • Calculated electronic transitions in sulfuric acid and implications for its photodissociation in the atmosphere

    Authors
    H.G. Kjaergaard, J.R. Lane
    Journal
    Journal of Physical Chemistry A
    Year
    2008
    We have calculated electronic transitions for sulfuric acid in the ultraviolet region using a hierarchy of coupled cluster response functions and correlation consistent basis sets. Our calculations in... REGISTER NOW TO SEE MORE

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