Abstract
AbstractWe compute the ESR coupling constants and the geometries of a set of nitro derivatives of the phenyl radical. We consider the three mononitrophenyls, the six dinitrophenyls and 2,4,6‐trinitrophenyl. The computations are based on the use of the Gaussian 82 Program Package with the STO‐3G basis set. There are no experimental data available.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have