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Sparkles

Four extra `elements'' have been put into MOPAC. These represent pure ionic charges, roughly equivalent to the following chemical entities:
    Chemical Symbol          Equivalent to

          +                 Tetramethyl ammonium radical, Potassium 
                            atom or Cesium atom.
          ++                Barium atom.
          -                 Borohydride radical, Halogen, or 
                            Nitrate radical
          --                Sulfate, oxalate.

For the purposes of discussion these entities are called `sparkles': the name arises from consideration of their behavior.



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root 2003-07-07