Semiempirical quantum chemistry methods in teaching the enthalpy of chemical reactions

Abstract

The lack of methods to assist the chemical teaching makes the challenging issue facing the teaching didactics. However, research has been done to propose new methodologies that aim to contribute to this. Among the proposals, the use of computers to aid the learning stands out as one of the most promising. This methodology may be useful in the didactic treatment of enthalpy therefore understand this significance requires knowing the problem that gave rise to and its solutions, as well. In this sense, simulations were performed on a theoretical chemical analysis software in order to obtain the enthalpy of some reactions and comparing them with their experimental enthalpy. Besides that, application of this method with chemistry students has been employed in order to verify the viability of this activity. Thus, this work presents the computational chemistry using quantum semiempirical methods as a complement to the enthalpy of teaching of chemical reactions for undergraduate students.