The structure and potential energy function of AlOH(CS,X1A′)
Acta Physica SinicaPeer ReviewedYang Ze-Jin +62008Journals
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 (CSX1A′) 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.
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