Browsing by Author "Burke, Luke A."
Now showing items 1-1 of 1
-
Theoretical characterization of pentazole anion with metal counter ions. calculated and experimental 15n shifts of aryldiazonium, -azide and -pentazole systems†
Burke, Luke A.; Butler, Richard N.; Stephens, John C. (Royal Society of Chemistry (RSC), 2001-01-01)Theoretical studies of proposed structures for NaN5, KN5, Mg(N-5)(2), Ca(N-5)(2), and Zn(N-5)(2) metal complexed pentazole anions have been carried out with the RHF, MP2, MCSCF, and DFT theoretical methods. Additional DFT ...