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- W2029602298 abstract "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." @default.
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- W2029602298 date "1984-08-01" @default.
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- W2029602298 title "Total lattice potential energy of sodium bromide dihydrate NaBr · 2H2O" @default.
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