دوره 3، شماره 2 - ( 8-1387 )
جلد 3 شماره 2 صفحات 28-21 |
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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-fa.html
URL: http://ijmsi.ir/article-1-53-fa.html
On Two Methods for Computing the Non-Rigid Group of Molecules. مجله علوم ریاضی و انفورماتیک. 1387; 3 (2) :21-28
چکیده:
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.
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