Elsevier

Chemical Physics Letters

Volume 79, Issue 2, 15 April 1981, Pages 279-283
Chemical Physics Letters

Theoretical study of structure and stability of h+x (h2)n clusters

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Abstract

The ion clusters H+X· (H2)n (X = N2, CO, O2 and H2 andn = 0, 1, 2) are investigated by means of SCF and CI computations in a double-zeta plus polarization gaussian basis It is found that hydrogen molecules attack the proton of H+X perpendicularly. The calculated stabilization energies are in agreement with experimental values of δH0.

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