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Dr Michael Peach

Lecturer

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  1. Published

    Fractional electron loss in approximate DFT and Hartree–Fock theory

    Peach, M. J. G., Tozer, D. J., Teale, A. M. & Helgaker, T., 10/11/2015, In: Journal of Chemical Theory and Computation. 11, 11, p. 5262-5268 7 p.

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

  2. 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

  3. Published

    Influence of Coulomb-attenuation on exchange-correlation functional quality

    Peach, M. J. G., Cohen, A. J. & Tozer, D. J., 2006, In: Physical Chemistry Chemical Physics. 8, 39, p. 4543-4549 7 p.

    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

    Investigation of structure and dynamics in a photochromic molecular crystal by NMR crystallography

    Dale, B. L., Halcovitch, N. R., Peach, M. J. G. & Griffin, J. M., 1/05/2019, In: Magnetic Resonance in Chemistry. 57, 5, p. 230-242 13 p.

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

  6. 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

  7. Published

    Modeling the adiabatic connection in H-2

    Peach, M. J. G., Teale, A. M. & Tozer, D. J., 28/06/2007, In: Journal of Chemical Physics. 126, 24, 9 p., 244104.

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

  8. Published

    Molecular excited states from the SCAN functional

    Tozer, D. J. & Peach, M. J. G., 04/2018, In: Molecular Physics. 116, 11, p. 1504-1511 8 p.

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

  9. Published

    Molecular properties in the Tamm–Dancoff approximation: indirect nuclear spin–spin coupling constants

    Cheng, C. Y., Ryley, M. S., Peach, M., Tozer, D. J., Helgaker, T. & Teale, A. M., 2015, In: Molecular Physics. 113, 13-14, p. 1937-1951 15 p.

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

  10. 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

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