Topological analysis of electron localisation function: Unlocking the nature of B C chemical bond. Possible existence of multiple bonds B C and B C
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DOI: 10.1016/j.poly.2019.05.035
Abstract: Abstract Topological analysis of electron localisation function (ELF) has been applied to study the nature of the B C, B C and B C bonds (1.278–1.645 A) in 19 molecules using the DFT(M062x) method and 18… read more here.
Keywords: topological analysis; analysis electron; localisation function; electron localisation ... See more keywords