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Creators/Authors contains: "Riley, Kevin E"

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  1. ; (, Journal of Chemical Education)
  2. ; (, European Journal of Physics)
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  3. ; ; ; ; ; ; ; (, Chemical physics letters)
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  4. (, Chemical physics letters)
    Symmetry adapted perturbation theory anlysis and intermolecular overlap volume calculations are used to investigate the origins of halogen- and hydrogen bond directionality. The central finding is that exchange-repulsion is primarily responsible for destabilizing both types of interaction as the R-x⋯Y (x = H, Cl, Br) angle deviates from linearity. The particular shape of the electron density envelope on the halogen/hydrogen bond donor plays a large role in dictating the degree to which a complex is destabilized upon R-x⋯Y rotation, with halogen bonds exhibiting a roughly linear destabilization and hydrogen bonds exhibiting destabilization that is approximately quadratic. 
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  5. ; ; ; (, Engineered Science)
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