Theoretical and Computational Chemistry Opportunities for Undergraduate Research
DOI:
https://doi.org/10.31416/rsdv.v8i2.43Keywords:
Quantum Mechanics, Scientific Research, Molecular ModelingAbstract
This work presents an introduction to the theoretical and computational chemistry and the
innumerable possibilities of research lines that the area can offer for the entrance to the
undergraduate research, through a university extension course ministered in the VIII Semana de
Química e Meio Ambiente do Instituto Federal de Educação, Ciência e Tecnologia do Sertão
Pernambucano – Campus Ouricuri. The mini-course lasted for three days, with a total workload of 9
hours. We conducted pilot studies with emphasis on the practical aspects of molecular modeling,
where participants had the opportunity to manipulate computational chemistry programs to
calculate the geometric and electronic properties of organic molecules. The practices made possible
a wide dissemination of the area that, until then, is little less widespread in the academic world.
The mini-course served as motivation for the registration of three voluntary scientific projects in
the area of computational chemistry.
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