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Mapping saddles and minima on free energy surfaces using multiple climbing strings
Locating saddle points on free energy surfaces is key in characterizing multistate transition events in complicated molecular-scale systems. Because these saddle points represent transition states, determining minimum free energy pathways to these saddles and measuring their free energies relative t...
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| Publicado no: | J Chem Phys |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
AIP Publishing LLC
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7043847/ https://ncbi.nlm.nih.gov/pubmed/31575198 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.5120372 |
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