ESPECTRO ELETRÔNICO DA MOLÉCULA I2: UMA BREVE INTRODUÇÃO À PROGRAMAÇÃO CIENTÍFICA
AUTOR(ES)
Oliveira Filho, Antonio G. Sampaio de, Batista, Ana Paula de Lima
FONTE
Quím. Nova
DATA DE PUBLICAÇÃO
2016-01
RESUMO
This study proposes an activity to introduce scientific programming. In particular, the multidisciplinary concepts of scientific programming, quantum mechanics, and spectroscopy are presented in the study of the electronic spectrum of the I2 molecule. We use Python programming language and the IPython command shell, in particular, for their user friendliness and versatility.