Topological analysis of electron localisation function: Unlocking the nature of B C chemical bond. Possible existence of multiple bonds B C and B C
Sign Up to like & getrecommendations! Published in 2019 at "Polyhedron"
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
Bayesian Analysis of Electron Spectroscopic SEM Images
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DOI: 10.1017/s1431927618003367
Abstract: The novel ultra-low voltage SEM Delta [1,2] allows electron spectroscopic imaging of both secondary (SE) and backscattered (BSE) electrons with a primary energy down to 50eV and a resolution better than 1nm. To recover the… read more here.
Keywords: sem; bayesian analysis; spectroscopic sem; electron spectroscopic ... See more keywords
Comment on “Topological Analysis of the Electron Density in the Carbonyl Complexes M(CO)8 (M = Ca, Sr, Ba)”
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DOI: 10.1021/acs.organomet.0c00419
Abstract: We question the statement of a recent publication ( Organometallics 2020, 39, 132, DOI: 10.1021/acs.organomet.9b00699) that the M → CO π backdonation in the alkaline earth carbonyl complexes M(CO)8... read more here.
Keywords: electron density; carbonyl complexes; comment topological; topological analysis ... See more keywords