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Research

Dr Michael Peach

Lecturer

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  1. Published

    Mechanistic insights into the cytochrome P450-mediated oxidation and rearrangement of littorine in tropane alkaloid biosynthesis

    Nasomjai, P., Reed, D. W., Tozer, D. J., Peach, M. J. G., Slawin, A. M. Z., Covello, P. S. & O'Hagan, D., 21/09/2009, In: ChemBioChem. 10, 14, p. 2382-2393 12 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  2. Published

    Overcoming Low Orbital Overlap and Triplet Instability Problems in TDDFT

    Peach, M. J. G. & Tozer, D. J., 4/10/2012, In: Journal of Physical Chemistry A. 116, 39, p. 9783-9789 7 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  3. Published

    On the evaluation of the non-interacting kinetic energy in density functional theory

    Peach, M. J. G., Griffiths, D. G. J. & Tozer, D. J., 14/04/2012, In: Journal of Chemical Physics. 136, 14, 7 p., ARTN 144101.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  4. Published

    Influence of triplet instabilities in TDDFT

    Peach, M. J. G., Williamson, M. J. & Tozer, D. J., 11/2011, In: Journal of Chemical Theory and Computation. 7, 11, p. 3578-3585 8 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  5. Published

    Exchange and correlation in density functional theory and quantum chemistry

    Peach, M. J. G., Tozer, D. J. & Handy, N. C., 03/2011, In: International Journal of Quantum Chemistry. 111, 3, p. 563-569 7 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  6. Published

    Negative Electron Affinities from DFT: Fluorination of Ethylene

    Peach, M. J. G., De Proft, F. & Tozer, D. J., 7/10/2010, In: The Journal of Physical Chemistry Letters. 1, 19, p. 2826-2831 6 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  7. Published

    Shielding Constants and Chemical Shifts in DFT: Influence of Optimized Effective Potential and Coulomb-Attenuation

    Peach, M. J. G., Kattirtzi, J. A., Teale, A. M. & Tozer, D. J., 8/07/2010, In: Journal of Physical Chemistry A. 114, 26, p. 7179-7186 8 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  8. Published

    Illustration of a TDDFT spatial overlap diagnostic by basis function exponent scaling

    Peach, M. J. G. & Tozer, D. J., 30/11/2009, In: Journal of Molecular Structure: THEOCHEM. 914, 1-3, p. 110-114 5 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  9. Published

    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 Journal/Magazine › Journal article › peer-review

  10. Published

    Adiabatic connection forms in density functional theory: H(2) and the He isoelectronic series

    Peach, M. J. G., Miller, A. M., Teale, A. M. & Tozer, D. J., 14/08/2008, In: Journal of Chemical Physics. 129, 6, 7 p., ARTN 064105.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

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