Skip to main content
. Author manuscript; available in PMC: 2008 Sep 10.
Published in final edited form as: J Phys Chem B. 2006 Nov 16;110(45):22861–22871. doi: 10.1021/jp061653q

Figure 2.

Figure 2

Merz-Kollman electrostatic potential-derived partial atomic charges for atoms in BH4 neutral (black), cation (red) and anion (blue) calculated by density functional theory (B3LYP/6-31+G(d)) in gas phase.