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
Evaluation of molecular moments by three methods
β Scribed by Yue Wu; Hong Gang Zhao; Xiaoping Liu; Jiping Li; Kaihai Yang; Hong Bin He
- Publisher
- John Wiley and Sons
- Year
- 2000
- Tongue
- English
- Weight
- 237 KB
- Volume
- 78
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
β¦ Synopsis
The three evaluative methods of the moment by means of the coefficient a k of the HMO characteristic polynomial, the tree graph, and walk graph have been studied.
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