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 top six occupied α-spin Kohn–Sham molecular orbitals of 2. Hydrogen atoms are omitted for clarity. (A) HOMO (379a, -2.743 eV); (B) HOMO–1 (378a, -2.745 eV; (C) HOMO–2 (377a, -2.778); (D) HOMO–3 (376a, -2.781); (E) HOMO–4 (375a, -4.399); (F) HOMO–5 (374a, -4.449 eV).
