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18 10 26 16 45

B3LYP/STO-3G for rMgO

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


Differences greater than 0.140 are in the 0.140 bin. Differences less than -0.100 are in the -0.100 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart
-0.100 -0.080 -0.060 -0.040 -0.020 0.000 0.020 0.040 0.060 0.080 0.100 0.120 0.140
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference MgO magnesium oxide-0.086
Most positive difference MgOH magnesium hydroxide0.048

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
MgO magnesium oxide 1.749 -0.086
MgOH magnesium hydroxide 1.767 0.048