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The evaluation of spectral moments for molecular graphs of phenylenes

✍ Scribed by Svetlana Marković; Aleksandra Stajković


Publisher
Springer
Year
1997
Tongue
English
Weight
411 KB
Volume
96
Category
Article
ISSN
1432-2234

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The concept of moment statistics for evaluating conformations of molecules derived from molecular dynamics simulations is presented. A comparison of the rigidity of tetralin with benzene and cyclohexane, the effect of "tooth thickness" in geared systems, the fluctional motion of a linear alkane, and