Table 2.
The best four-descriptor model.
Descriptor No. | X | ±ΔX | t-Test | Descriptor |
---|---|---|---|---|
0 | −4.5445 | 7.3386 × 10−1 | −6.1926 | Intercept |
1 | −2.5592 × 10−3 | 2.3118 × 10−4 | −11.0701 | ΔHf a |
2 | 2.8334 | 3.8752 × 10−1 | 7.3116 | Pµµ b |
3 | 7.7801 × 10−2 | 1.0981 × 10−2 | 7.0850 | µ c |
4 | −3.4698 × 10−1 | 1.5347 × 10−1 | −2.2609 | qmax° d |
a Final heat of formation of atoms. b Max atomic orbital electronic population. c Tot dipole of the molecule. d Max net atomic charge for a O atom.