Degeneracy Factors for Torsional States
Hi,
I have carried out conformarional searches on metal complexes of
calixarenes - a class of macrocycle - by varying 15-20 torsional
bonds per complex. I would like to carry out a population analysis
based on the relative energy differences.
However, I don't know what the degeneracy factors are for torsional
states. Could anyone give me some advice (specific or general) on how
to calculate these factors.
Kind rgds,
Paddy.
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Paddy Kane
School Of Chemical Sciences
Dublin City University
Glasnevin
Dublin 9
Ireland.
E-mail: p_kane -AatT- mailcity.com
Tel: 00-353-1-7045641
Fax: 00-353-1-7045503
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