Reaction of t-butoxy radicals with norbornadiene

95 percent of the reaction of t-butoxy radical with norbornadiene occurs by radical addition followed by rearrangement to nortricyclyl and 7-t-butoxynorbornenyl products; the remainder includes a novel radical rearrangement involving a 1,3-H shift and some radical abstraction observed for the first time.     

Total lattice potential energy of sodium bromide dihydrate NaBr · 2H2O

In addition to presenting comparative calculations by two approaches for the total lattice potential energy of sodium bromide dihydrate, NaBr · 2H₂O, found to take the value 803.9 kJ mol^-1, we investigate the influence of the size and nature of the basis set used to generate multipole moments in a Hartee-Fock calculation which are in turn used to calculate the Madelung constant. The requirement is one of critical size of the basis set and once this is reached the electrostatic energy will be reliable.