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18 10 26 16 45

MP4=FULL/aug-cc-pVDZ for rNeNe

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


Differences greater than 0.025 are in the 0.025 bin. Differences less than -0.035 are in the -0.035 bin.

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

  Species Name Difference (Å)
Most negative difference Ne2+ Neon diatomic cation-0.032
Most positive difference Ne2+ Neon diatomic cation-0.032

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
Ne2+ Neon diatomic cation 1.765 -0.032