Figure - PMC

Skip to main content

View full-text article in PMC

. 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

Spin densities for the BH₄ cation and anion calculated by density functional theory (B3LYP/6-31+G(d)) in gas phase, dielectric, water and protein environment. The pictures have been obtained from CUBE Gaussian98 files and displayed with the VMD and POV-Ray programs.

Spin densities for the BH₄ cation and anion calculated by density functional theory (B3LYP/6-31+G(d)) in gas phase, dielectric, water and protein environment. The pictures have been obtained from CUBE Gaussian98 files and displayed with the VMD and POV-Ray programs.