DFT Description of Intermolecular Forces between 9-Aminoacridines and DNA Base Pairs

Table 1

Energies of optimized 9-AA 1(a–e)—base-pair complexes calculated at the B3LYP/6-31G* basis set.

9-AA	AT complex; Energy (au)	GC complex; Energy (au)
1(a)	1874,420	1890,414
1(b)	2031,520	2047,671
1(c)	2396,975	2412,918
1(d)	2239,640	2255,649
1(e)	2604,928	2620,917