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18 10 26 16 45

MP4/cc-pVTZ for rDO

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


Differences greater than 0.001 are in the 0.001 bin. Differences less than -0.000 are in the -0.000 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.000 0.000 0.000 0.000 0.000 0.000 0.001 0.001 0.001 0.001 0.001 0.001 0.001
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference DO Hydroxyl-d0.001
Most positive difference DO Hydroxyl-d0.001

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
DO Hydroxyl-d 0.970 0.001