Dynamical pathways for isomerization processes in the water nonamer
Dynamical pathways for the interconversion between two stable (H2O)9 derived from the D2d octamer have been investigated using the transition path sampling formalism. Instantaneous normal mode analysis reveals that the dynamics over the ensemble of transition states is characterized by the concerted...
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| Autores principales: | Rodriguez, Javier, Moriena, Gustavo, Laria, Daniel Hector |
|---|---|
| Publicado: |
2002
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| Acceso en línea: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00092614_v356_n1-2_p147_Rodriguez http://hdl.handle.net/20.500.12110/paper_00092614_v356_n1-2_p147_Rodriguez |
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