Source Function applied to experimental densities reveals subtle electron-delocalization effects and appraises their transferability properties in crystals.
Gatti C, Saleh G, Lo Presti L.
Gatti C, et al.
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016 Apr;72(Pt 2):180-93. doi: 10.1107/S2052520616003450. Epub 2016 Apr 1.
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016.
PMID: 27048720
Free article.
The Source Function (SF), introduced in 1998 by Richard Bader and Carlo Gatti, is succinctly reviewed and a number of paradigmatic applications to in vacuo and crystal systems are illustrated to exemplify how the SF may be used to discuss chemical bonding in both conventio …
The Source Function (SF), introduced in 1998 by Richard Bader and Carlo Gatti, is succinctly reviewed and a number of paradigmatic ap …