Accuracy of energy

Accuracy of energy

Postby lucaslsm » Mon Mar 07, 2016 6:02 am

Dear all,
Questions have been arised about accuracy in my study.

The calculations have provided interactions of stabilization energies between 0.1 and 0.3 kcal/mol

you may help me with that:

How accurate are the computed second order stabilization (E2PRT) and steric exchange energies?

Is there a sense make a discussion with those values?

Best regards,
lucas
lucaslsm
 
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