Figure 8
From: Insensitive ionic bio-energetic materials derived from amino acids
QTAIM and NBO analysis of the cluster conformers in [Gly]ClO4 (a) and [Ala]NO3 (b) crystal structure at the M062X/6–311 + + G(d,p) level. Larger spheres represent the atoms (C: grey, H: white, N: blue, O: red, Cl: light grey). Thick black lines indicate the bond paths of hydrogen bonds. The small red dots on the bond paths identify the BCPs. The natural bond orbitals isosurface is plotted at –0.05 a.u. and 0.05 a.u., respectively.
