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18 10 26 16 45

mPW1PW91/TZVP for rPS

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


Differences greater than 0.011 are in the 0.011 bin. Differences less than -0.001 are in the -0.001 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.001 0.000 0.001 0.002 0.003 0.004 0.005 0.006 0.007 0.008 0.009 0.010 0.011
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference PS phosphorus sulfide0.009
Most positive difference PS phosphorus sulfide0.009

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
PS phosphorus sulfide 1.900 0.009