Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
The Frontier molecular orbitals, molecular electrostatic potential, and charge distribution of compounds 6a and 5a. (a) HOMO and LUMO orbitals for compounds 6a and 5a. (b) Charge distribution and molecular electrostatic potentials of compounds 6a and 5a. The values of atomic charges are shown in red. The charge type is Mulliken charge.
