Table 1: The 12-6 potential parameters of the NC chain.

Pair A,Å12 kcal/mol B,Å6 kcal/mol Pair A,Å12 kcal/mol B,Å6 kcal/mol
C-C
C-P
C-O
C-N
O-O		 1171340
3145970
535958
730530
232116		 667.5
1481.6
452.2
500.7
198.1		 P-P
P-O
P-N
N-N
N-O		 8350780
1476420
1985180
450301
325886		 3369.4
1016.6
1117.9
373.4
334.9