PM3 method has been used to calculate the electronic structures of isomers of Pyrrole,and to study the difference in insecticidal activities between isomers of pyrrole by atomic net charge,bond order and energy.
文摘PM3 method has been used to calculate the electronic structures of isomers of Pyrrole,and to study the difference in insecticidal activities between isomers of pyrrole by atomic net charge,bond order and energy.
