Table 4.

Mulliken atomic charges of the DHPAMP calculated by DFT at B3LYP/6-31G (d,p).

Symbol	MM Charge	Symbol	MM Charge
1C	−0.10	23H	0.27
2C	−0.11	24N	−0.45
3C	0.14	25O	−0.55
4C	−0.12	26H	0.31
5C	−0.13	27P	1.17
6C	0.32	28C	0.04
7H	0.10	29H	0.12
8H	0.09	30O	−0.54
9H	0.08	31O	−0.60
10H	0.07	32C	−0.33
11C	−0.21	33H	0.11
12H	0.14	34H	0.11
13C	0.36	35H	0.12
14C	−0.14	36H	0.13
15C	−0.12	37C	0.04
16C	0.08	38H	0.11
17H	0.07	39H	0.11
18C	0.08	40O	−0.53
19H	0.07	41C	−0.33
20H	0.09	42H	0.10
21H	0.09	43H	0.12
22N	−0.61	44H	0.15