Rational Design and Experimental Research on the Self-Assembled System of Thermosensitive Molecularly Imprinted Polymers Formed by α-Lipoic Acid and N-Vinyl Caprolactam

Table 3

The energy decomposition of ALA-NVC complex.

	Electrostatic	Repulsion	Dispersion
Ratio 1 : 1
ALA-NVCL	-35.41	26.49	-27.33
Ratio 1 : 2
ALA-NVCL	-43.5	53.3	-65.33
NVCL-NVCL	-2.57	17.39	-30.63
Total	-46.07	70.69	-95.96
Ratio 1 : 3
ALA-NVCL	-35.53	82.09	-106.46
NVCL-NVCL	-7.56	28.51	-54.56
Total	-43.09	110.6	-161.02
Ratio 1 : 4
ALA-NVCL	-41.67	107.49	-144.9
NVCL-NVCL	-7.93	28.3	-54.5
Total	-49.6	135.79	-199.4
Ratio 1 : 5
ALA-NVCL	-47.51	119.13	-166.98
NVCL-NVCL	-7.38	50.74	-92.08
Total	-54.89	169.87	-259.06