Abstract: In the framework of density functional theory, the development of electronegativity, electronegativity equalization theory and their applications for exploring some molecular properties are overviewed.
Abstract: In the framework of density functional theory, the development of electronegativity, electronegativity equalization theory and their applications for exploring some molecular properties are overviewed.
文摘:以密度泛函理论为框架,综述电负性和电负性均衡理论的发展及其在探讨各种分子性质时的应用。