Application of computational chemistry in chemical reactivity: a review

Molecular orbitals are vital to giving reasons several chemical reactions occur. Although, Fukui and coworkers were able to propose a postulate which shows that highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) is incredibly important in predicting chemical re...

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Auteurs principaux: C. W. Chidiebere, C. E. Duru, J. P. C. Mbagwu
Format: article
Langue:EN
Publié: Nigerian Society of Physical Sciences 2021
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Accès en ligne:https://doaj.org/article/e96938ed2a3841718eb14aba11cc2cd3
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