O uso dos programas Topiso3D Viewer e Molview como ferramentas de ensino para a compreensão da ligação química para alunos do ensino superior

Abstract

Chemistry, such as a subject that studies the universe on atomic scale, often becomes abstract when it comes to understand some concepts. The use of technologies in chemistry teaching has revolutionized the way concepts are taught and understood, whether using Information and Communications Technology (ICTs) such as interactive resources, virtual laboratories, augmented reality, among others. Technology plays a growing and fundamental role in teaching, making learning more engaging, accessible and effective. The present work aims to incorporate results of Density Functional Theory (DFT) calculations, which are performed using CRYSTAL17 software and then processed using TopIso3D Viewer software, which was developed at UFPB. The combination of both software may help students in the visualization and in the improvement of theoretical chemical concepts of chemical bonding in the Basic Chemistry and Structure subject at UFPB. The obtained results suggest that DFT calculations employed in a didactic way improve the student's teaching-learning process, making the subject more interactive and attractive, which facilitates the understanding of undergraduate students in relation to atoms, molecules, and chemical bonds.