Dear Justin, Thank you for your response. I have already read your paper and I have tried semi empirical methods ( Antechamber) and QM from Spartan 10 and I can reach results which have consistence with your paper. But about large molecule like Lidocaine or Articaine I have some problems. You said "QM calculations are the starting point, not the end" but becase my field is Chemical enginnering I do not have basic information of QM to continue my work. So if it is possible for you please suggest me a book or any reference which can help me and introduce me methods of elementary quantum mechanics calculation. It will be really your kind.
Thanks a lot in advance. Parto Haghighi
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