Content:According to density functional theory,the electron density of a system determines all properties of the system.So accurate calculation of charge distributions in a molecular system plays an important role in explaining and predicting its structure and properties.Atom-bond electronegativity equalization methodσπ(ABEEMσπ) model,which is based on Density Functional Theory and Electronegtivity Equalization Method,has gained satisfying results in computing and explaining the relationship between...
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