chemical reactivity
National Institutes of Health
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Homogeneous 2D lamellar assemblies of AuI thiolate coordination polymer (ATCP) were obtained by two-ligand co-assembly. The…
A new theory for the study of the reactivity in Organic Chemistry, named Molecular Electron Density Theory (MEDT), is proposed…
Reactivity control of graphene is an important issue because chemical functionalization can modulate graphene's unique mechanical…
Chemical doping is one of the most suitable ways of tuning the electronic properties of graphene and a promising candidate for a…
Elucidating chemical reactivity in complex molecular assemblies of a few hundred atoms is, despite the remarkable progress in…
In this work we studied three dyes which are proposed for potential photovoltaic applications and named Dye7, Dye7-2t and Dye7-3t…
Chemical reactivity descriptors are derived within the framework of the pair density functional theory. These indices provide…