Uso da química computacional como ferramenta auxiliadora no ensino de química

Abstract

Chemistry is a discipline of great difficulty to students, whether in high school or undergraduate level, this is due to the fact of presenting a significant amount of abstract content and the need for mathematical analysis. In this completion of course work, was carried out an explanation about how the use of Computational Chemistry can intervene in the study of chemistry in a satisfactory way and that shows its advantages. This work was divided in two moments, one related to the presentation of the general concepts necessary for its understanding and another one where a case study was carried out that involved the development of a simple computational code, written in Fortran, to carry out a study of kinetic chemistry involving 1st and 2nd order processes. Finally, based on the study carried out, was proposed a syllabus for a discipline focused on the computational study of fundamental contents of chemistry.