return to home page

IV.D.7. (XVIII.A.2.)

Bad Calculated Bond Lengths

List of molecules with calculated bond lengths that differ by more than 0.050 Å from experimental bond lengths.

Calculated at ROMP2/cc-pCVDZ

Species Name Bond type Bond Length (Å)
Experimental Calculated Difference
AlN Aluminum nitride rNAl 1.786 1.850 0.064
1 molecules.