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18 10 26 16 45

MP3=FULL/6-31+G** for rNeNe

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


Differences greater than 0.020 are in the 0.020 bin. Differences less than -0.100 are in the -0.100 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart
-0.100 -0.090 -0.080 -0.070 -0.060 -0.050 -0.040 -0.030 -0.020 -0.010 0.000 0.010 0.020
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference Ne2 Neon diatomic-0.096
Most positive difference Ne2+ Neon diatomic cation-0.043

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
Ne2 Neon diatomic 3.100 -0.096
Ne2+ Neon diatomic cation 1.765 -0.043