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Comparative Study of Various Normal Mode Analysis Techniques Based on Partial Hessians
Standard normal mode analysis becomes problematic for complex molecular systems, as a result of both the high computational cost and the excessive amount of information when the full Hessian matrix is used. Several partial Hessian methods have been proposed in the literature, yielding approximate no...
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| Publicado no: | J Comput Chem |
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| Main Authors: | , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2010
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4245204/ https://ncbi.nlm.nih.gov/pubmed/19813181 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21386 |
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