return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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18 10 26 16 45

G4 for rMgMg

Histogram of Bond length differences (in Å) vs number of species


Differences greater than 1.000 are in the 1.000 bin. Differences less than -1.400 are in the -1.400 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-1.400 -1.200 -1.000 -0.800 -0.600 -0.400 -0.200 0.000 0.200 0.400 0.600 0.800 1.000
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference Mg2 Magnesium diatomic-1.208
Most positive difference Mg2 Magnesium diatomic-1.208

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
Mg2 Magnesium diatomic 3.891 -1.208