Subject: Degeneracy Factors for Torsional States

From: "Paddy Kane" <[email-masked]>
Date: Thu, 20 Aug 1998 09:36:04 -0700

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.

---
Paddy Kane
School Of Chemical Sciences
Dublin City University
Glasnevin
Dublin 9
Ireland.

E-mail: [email-masked]

Tel: 00-353-1-7045641
Fax: 00-353-1-7045503

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