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Results for ABSORPTION-SPECTRA

Publications & Outputs

  1. TDDFT diagnostic testing and functional assessment for triazene chromophores

    Peach, M. J. G., Le Sueur, C. R., Ruud, K., Guillaume, M. & Tozer, D. J., 2009, In: Physical Chemistry Chemical Physics. 11, 22, p. 4465-4470 6 p.

    Research output: Contribution to journalJournal articlepeer-review

  2. Excitation energies in density functional theory: An evaluation and a diagnostic test

    Peach, M. J. G., Benfield, P., Helgaker, T. & Tozer, D. J., 28/01/2008, In: Journal of Chemical Physics. 128, 4, 8 p., ARTN 044118.

    Research output: Contribution to journalJournal articlepeer-review