Volume 3, Issue 2 (November 2008)
IJMSI 2008, 3(2): 21-28 |
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On Two Methods for Computing the Non-Rigid Group of Molecules. IJMSI 2008; 3 (2) :21-28
URL: http://ijmsi.ir/article-1-53-en.html
URL: http://ijmsi.ir/article-1-53-en.html
Abstract:
In this paper, two methods are described, by means of which it is possible to calculate the non rigid group of molecules consisting of a number of XH3 groups attached to a rigid framework. The first method is a combination of the wreath product formalism of Balasubramanian and modern computer algebra and the second method is a computational approach by using group theory package GAP. We apply these methods on 2,3,6,7,10,11-hexanitrotriphenylene (HNT) to compute its non-rigid group.
Type of Study: Research paper |
Subject:
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