Paper 62.
In our previous paper [Muguet 95B] , the
(NH3)2
hessian was computed at the RHF level. Analysis of vibrational motions
was performed with the help of 2D graphics. A further analysis with a more
sophisticated ab initio methods and graphics
tools was felt required.
Along the line of our previous paper
[Muguet 95B] ,
we have performed a partial optimization at the MCSCF level.
and then we
computed the hessian at the MCSCF level
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In this WWW poster, we did not have time to report frequencies obtained at
various ab initio levels, as well as frequencies for
(NH3ND3) and (ND3)2 dimers.
All details will be available soon in the final version of this WWW paper ( to be submitted to Internet Journal of
Chemistry ).
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