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Compare Bonds

18 10 26 16 45

QCISD/3-21G for rSD

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


Differences greater than 0.055 are in the 0.055 bin. Differences less than -0.005 are in the -0.005 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050 0.055
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference DS Mercapto-d0.050
Most positive difference DS Mercapto-d0.050

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
DS Mercapto-d 1.341 0.050