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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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| Publicado no: | J Chem Phys |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
AIP Publishing LLC
2015
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| Assuntos: | |
| Acesso em linha: | 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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