ESPECTRO ELETRÔNICO DA MOLÉCULA I2: UMA BREVE INTRODUÇÃO À PROGRAMAÇÃO CIENTÍFICA
Antonio G. Sampaio de Oliveira Filho, Ana Paula de Lima Batista
Química Nova · 2016
doi:10.5935/0100-4042.20150168 (opens in a new tab)
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Abstract
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.
Abstract licence: CC BY-NC
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