Electronic Structure and Physical-Chemistry Property Relationship for Oxazole Derivatives by Ab Initio and DFT Methods

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ID: 10995
2011
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Abstract
The geometric, electronic structure, effect of the substitution, and structure physical-chemistry relationship for oxazoles derivatives have been studied by ab initio and DFT theory. In the present work, the calculated values, namely, net charges, bond lengths, dipole moments, electron affinities, heats of formation, and QSAR properties are reported and discussed in terms of the reactivity of oxazole derivatives.
Reference Key
salah2011electronicorganic Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Belaidi, Salah;Mellaoui, Malika;Belaidi, Salah;Mellaoui, Malika;
Journal organic chemistry international
Year 2011
DOI
10.1155/2011/254064
URL
https://www.hindawi.com/journals/oci/2011/254064/abs/
Keywords Keywords not found

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