Abstract

By using MP4/6-311G(3df,3pd) method, the equilibrium geometry of AlOH molecule has been calculated .The possible electronic state and the reasonable dissociation limit for the ground state of AlOH (CS,X1A′) molecule is determined based on atomic and molecular reaction statics. The analytic potential energy function of AlOH molecule was derived by many-body expansion theory.

Full Text
Published version (Free)

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call