All Stories

  1. DFT studies on the directing group dependent arene–alkene cross-couplings: arene activation vs. alkene activation

    Article • Organic & Biomolecular Chemistry, January 2015, Royal Society of Chemistry

    De-cai Fang

  2. Between a reactant rock and a solvent hard place – molecular corrals guide aromatic substitutions

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

    De-cai Fang

  3. DFT calculations on kinetic data for some [4+2] reactions in solution

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

    De-cai Fang

  4. Balancing the atomic waistline: Isodensity‐based scrf radii for main‐group elements and transition metals

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

    De-cai Fang

  5. Simplification through complexity: the role of Ni-complexes in catalysed diyne–cyclobutanone [4+2+2] cycloadditions, a comparative DFT study

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    De-cai Fang

  6. The ThC double bond: an experimental and computational study of thorium poly-carbene complexes

    Article • Dalton Transactions, January 2011, Royal Society of Chemistry

    De-cai Fang