110691-29-7Relevant articles and documents
APPLICATION OF THE MNDO METHOD IN PLANNING THE SYNTHESIS OF Δ2-1,2,3-TRIAZOLES
Juranic, Ivan,Husinec, Suren,Savic, Vladimir,Porter, Alexander E A.
, p. 411 - 417 (2007/10/02)
A study on the reactivity of several azides and dipolarophiles in cycloaddition reaction has been carried out and the results analyzed by MNDO calculations.In all cases it can be demonstrated that the reactivity is dependent not on the energy difference between the HOMO of one reactant and LUMO of the other but on the energy difference of corresponding chemically significant MOs.