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Dr Michael Peach

Lecturer

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  1. 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

  2. Published

    On the triplet instability in TDDFT

    Peach, M., Tozer, D. J. & Warner, N., 2013, In: Molecular Physics. 111, 9-11, p. 1271-1274 4 p.

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

  3. 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

  4. Published

    Rapidly accessible "click" rotaxanes utilizing a single amide hydrogen bond templating motif

    Fletcher, B. E., Peach, M. J. G. & Evans, N. H., 7/04/2017, In: Organic and Biomolecular Chemistry . 15, 13, p. 2797-2803 7 p.

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

  5. 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

  6. Published

    Structural and electronic properties of polvacetylene and polyyne from hybrid and coulomb-attenuated density functionals

    Peach, M. J. G., Tellgren, E. I., Salek, P., Helgaker, T. & Tozer, D. J., 22/11/2007, In: Journal of Physical Chemistry A. 111, 46, p. 11930-11935 6 p.

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

  7. Published

    Syntheses, structures, and comparison of the photophysical properties of cyclometalated iridium complexes containing the isomeric 1- and 2-(2′-pyridyl)pyrene ligands

    Edkins, R., Fucke, K., Peach, M., Crawford, A., Marder, T. & Beeby, A., 2013, In: Inorganic Chemistry. 52, 17, p. 9842-9860 19 p.

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

  8. 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

  9. Published

    The synthesis of a pyridine-: N -oxide isophthalamide rotaxane utilizing supplementary amide hydrogen bond interactions

    Evans, N. H., Gell, C. & Peach, M. J. G., 7/09/2016, In: Organic and Biomolecular Chemistry . 14, 33, p. 7972-7981 10 p.

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

  10. Published

    Time-dependent density functional theory calculations of near-edge X-ray absorption fine structure with short-range corrected functionals

    Besley, N. A., Peach, M. J. G. & Tozer, D. J., 2009, In: Physical Chemistry Chemical Physics. 11, 44, p. 10350-10358 9 p.

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

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