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18 10 26 16 45

PBEPBE/cc-pVDZ for rNeNe

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


Differences greater than 0.600 are in the 0.600 bin. Differences less than -0.600 are in the -0.600 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart
-0.600 -0.500 -0.400 -0.300 -0.200 -0.100 0.000 0.100 0.200 0.300 0.400 0.500 0.600
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference Ne2 Neon diatomic-0.544
Most positive difference Ne2+ Neon diatomic cation0.149

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
Ne2 Neon diatomic 3.100 -0.544
Ne2+ Neon diatomic cation 1.765 0.149