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18 10 26 16 45

QCISD(TQ)/aug-cc-pVDZ for rO=Ti

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


Differences greater than 0.002 are in the 0.002 bin. Differences less than -0.022 are in the -0.022 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.022 -0.020 -0.018 -0.016 -0.014 -0.012 -0.010 -0.008 -0.006 -0.004 -0.002 -0.000 0.002
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference TiO Titanium monoxide-0.022
Most positive difference TiO Titanium monoxide-0.022

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
TiO Titanium monoxide 1.620 -0.022