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diffracteD
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difference between single point energy and dimerization energy

I am investigating potential energy surface characteristics of some monomeric interactions(electrostatic) e.g. F-H...F-H.
I'm using dft/mp2(scs) to perform the necessary calculations for single point energy.
Being a little short in basic idea, is it possible to compare single point energy with dimerization energy(electrostatic) between monomers.

A little concept or reference on the concerned matter will be highly appreciated.

diffracteD
  • 683
  • 5
  • 15