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A simple refinement of density distributions of bonding electrons. II. Bond electron density distribution in diborane

โœ Scribed by Mullen, D. ;Hellner, E.


Book ID
114524693
Publisher
International Union of Crystallography
Year
1977
Weight
702 KB
Volume
33
Category
Article
ISSN
0567-7408

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Electron density distributions of ฯ€ bond
โœ J.E. Niu; W.H.E. Schwarz ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 394 KB

A simple procedure for extracting the bent character and the w character of bonds from electron density maps is suggested. The ellipticity of w-double bonds, which is positive at the bond center, has opposite sign near the nuclei because of density accumulation in the or plane. This is mainly due to