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18 10 26 16 45

QCISD/6-31G for rPS

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


Differences greater than 0.220 are in the 0.220 bin. Differences less than -0.020 are in the -0.020 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.020 0.000 0.020 0.040 0.060 0.080 0.100 0.120 0.140 0.160 0.180 0.200 0.220
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference PS phosphorus sulfide0.191
Most positive difference PS phosphorus sulfide0.191

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
PS phosphorus sulfide 1.900 0.191