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Some studies on generalized coordinate sets for polyatomic molecules
Generalized coordinates are widely used in various analyses of the trajectories of polyatomic molecules from molecular dynamics simulations, such as normal mode analysis and force distribution analysis. Here, we presented detailed discussions on the properties of some specific sets of generalized co...
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| Publicat a: | J Chem Phys |
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| Autors principals: | , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
AIP Publishing LLC
2015
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4684273/ https://ncbi.nlm.nih.gov/pubmed/26671354 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4936773 |
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