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Enclosure of all index-1 saddle points of general nonlinear functions
Transition states (index-1 saddle points) play a crucial role in determining the rates of chemical transformations but their reliable identification remains challenging in many applications. Deterministic global optimization methods have previously been employed for the location of transition states...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer US
2016
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7115036/ https://www.ncbi.nlm.nih.gov/pubmed/32269422 http://dx.doi.org/10.1007/s10898-016-0430-8 |