All Stories

  1. Arene C–H activation using Rh(i) catalysts supported by bidentate nitrogen chelates

    Article • Catalysis Science & Technology, January 2015, Royal Society of Chemistry

    William Goddard

  2. Initial decomposition reaction of di-tetrazine-tetroxide (DTTO) from quantum molecular dynamics: implications for a promising energetic material

    Article • Journal of Materials Chemistry A, January 2015, Royal Society of Chemistry

    William Goddard

  3. The co-crystal of TNT/CL-20 leads to decreased sensitivity toward thermal decomposition from first principles based reactive molecular dynamics

    Article • Journal of Materials Chemistry A, January 2015, Royal Society of Chemistry

    William Goddard

  4. Reaction mechanism from quantum molecular dynamics for the initial thermal decomposition of 2,4,6-triamino-1,3,5-triazine-1,3,5-trioxide (MTO) and 2,4,6-trinitro-1,3,5-triazine-1,3,5-trioxide (MTO3N), promising green energetic materials

    Article • Journal of Materials Chemistry A, January 2015, Royal Society of Chemistry

    William Goddard

  5. The atomistic origin of the extraordinary oxygen reduction activity of Pt3Ni7fuel cell catalysts

    Article • Chemical Science, January 2015, Royal Society of Chemistry

    Dr Alessandro Fortunelli, William Goddard

  6. Computational predictions of corroles as a class of Hsp90 inhibitors

    Article • Molecular BioSystems, January 2015, Royal Society of Chemistry

    William Goddard

  7. ReaxFF reactive molecular dynamics on silicon pentaerythritol tetranitrate crystal validates the mechanism for the colossal sensitivity

    Article • Physical Chemistry Chemical Physics, September 2014, Royal Society of Chemistry

    William Goddard

  8. Design and validation of non-metal oxo complexes for C–H activation

    Article • Chemical Communications, January 2014, Royal Society of Chemistry

    William Goddard

  9. Quantum chemical insights into the dissociation of nitric acid on the surface of aqueous electrolytes

    Article • International Journal of Quantum Chemistry, May 2012, Wiley

    William Goddard