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. 2024 Feb 24;128(9):1715–1724. doi: 10.1021/acs.jpca.3c08158

Table 2. rmsd and Mean Signed Deviations (MSDs) in kcal/mol of Inline graphic and Inline graphic Terms for the “W4.3” Subset.

basis set Inline graphica
Inline graphicb
  rmsd MSD rmsd MSD
neglecting 0.255 0.109 0.111 0.044
VDZ(p,s) 0.094 0.039 0.062 0.007
VDZ(d,s) 0.030 0.011 0.014 0.001
VTZ(d,p) 0.015 0.003 0.010 0.001
VTZ(f,p) 0.012 0.006 0.007 0.005
VQZ(g,d) REF REF REF REF
a

Inline graphic/VQZ(g,d) is used as reference.

b

Inline graphic/VQZ(g,d) is used as reference. A total of 50 data points are used in all comparisons.