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

by Kelterer, Anne-Marie; Ramek, Michael; Frey, Regina F.; Cao, Ming; Schäfer, Lothar

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.