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J.R. Lane
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Publications

  • 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
  • Calculated electronic transitions of the water ammonia complex

    Authors
    H.G. Kjaergaard, J.R. Lane, V. Vaida
    Journal
    Journal of Chemical Physics
    Year
    2008
    We have calculated vertical excitation energies and oscillator strengths of the low lying electronic transitions in H2 O, N H3, and H2 ON H3 using a hierarchy of coupled cluster response functions [co... REGISTER NOW TO SEE MORE
  • Chapter 8 Atmospheric Photolysis of Sulfuric Acid

    Authors
    H.G. Kjaergaard, D.P. Schofield, T.W. Robinson, J.R. Lane, A.L. Garden, M.J. Mills
    Journal
    Advances in Quantum Chemistry
    Year
    2008
    We describe theoretical methods for the calculation of vibrational and electronic transitions in sulfuric acid, from which absorption cross sections can be obtained in the infrared through to the vacu... REGISTER NOW TO SEE MORE
  • Fluorosulfonic acid and chlorosulfonic acid: Possible candidates for OH-stretching overtone-induced photodissociation

    Authors
    H.G. Kjaergaard, J.R. Lane
    Journal
    Journal of Physical Chemistry A
    Year
    2007
    We have calculated the stationary points and internal reaction coordinate pathway for the dissociation of fluorosulfonic acid (FSO3H) and chlorosulfonic acid (ClSO3H). These sulfonic acids dissociate ... REGISTER NOW TO SEE MORE

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