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Aug 15, 2019Article Details
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Copyright on the journal content belongs to the Federation of African Societies of Chemistry
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Using molecular modelling to study bond dissociation energy: Methane as a study case
Abstract
The present work describes how molecular modelling (DFT approach) can be used to calculated the H3C-H bond dissociation energy, in a didactical approach that can be employed in both, undergraduate or graduation courses.
