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Re^2: share pls your NBO experience

alex
yakovenko.alexander@gmail.com


Thank you for sharing of your personal experience; I appreciate this.
Alex.

On Fri Sep 12 '14 5:34am, Pavlo Solntsev wrote
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>With some experience, NBOs really useful for MCSCF. They may be not so cool if your symmetry >C1. The are also useful for description of bonding.

>All based on my own experience.

>Pavlo.
>


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