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. 2019 May 29;119(13):7940–7995. doi: 10.1021/acs.chemrev.8b00763

Table 1. Designed Regression, Relay Matrix, and AIM Values for Atomic Polarizabilities and Volumes of Atoms in Ionic Liquid^{145,195,196,218}^,^a.

	designed regression			relay matrix				AIM
		⟨α_iβ⟩		α_iβ(s₁)		α_iβ(s₂)		⟨α_iβ⟩
atom	⟨V_iβ⟩	cation	anion	cation	anion	cation	anion	cation	anion
H	5.91	0.389	0.389	0.257	0.641	0.444	0.829	0.323	0.323
B	18.15		0.243	1.461	0.666	1.085	0.434		0.578
C(sp³)	15.84	1.081	1.081	1.427	1.461	1.152	1.126	1.016	1.016
C(sp²)	15.27	1.290	1.290	1.427	1.461	1.152	1.126	1.122	1.432
C(sp)	20.04	1.192	1.192	1.427	1.461	1.152	1.126	1.587	1.587
N	14.35	1.085	1.085	1.051	1.749	0.917	2.305	1.208	1.698
O	9.28	0.354	0.354	0.372	0.597	0.331	0.669	1.144	1.144
P	22.99	1.098	1.098	2.660	1.772	1.750	0.965	1.237	1.237
S	37.28		2.771	3.223	2.863	2.703	2.380		1.553
F	13.26		0.346	0.163	0.142	0.256	0.247		0.625
Cl	40.00		2.424	2.231	3.241	2.138	2.903		2.43
Br	32.84		3.441	3.334	4.471	3.096	4.161		4.03
I	58.38		5.596					3.80	7.95

^a

All values are in Å³. The Thole screening functions s₁ and s₂ are discussed in section 2.4.3.