Basis-Set Influence in Ab-Initio Calculations - the Case of 2-Aminoethanol and N-Formylproline Amide

by Kelterer, A. M.; Ramek, M.; Frey, R. F.; Cao, M.; Schafer, L.

The number of local minima which can be located in the potential energy surfaces of 2-aminoethanol and N-formylproline amide depends on the basis set employed. This effect was explored using a number of standard basis sets and the stability of the questionable conformers is discussed in detail.