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18 10 26 16 45

QCISD(TQ)=FULL/aug-cc-pVTZ for rArAr

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


Differences greater than 0.200 are in the 0.200 bin. Differences less than -0.040 are in the -0.040 bin.

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

  Species Name Difference (Å)
Most negative difference Ar2 Argon diatomic-0.029
Most positive difference Ar2+ Argon diatomic cation0.098

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
Ar2 Argon diatomic 3.758 -0.029
Ar2+ Argon diatomic cation 2.320 0.098