Por favor, use este identificador para citar o enlazar a este item:
http://hdl.handle.net/10261/9453COMPARTIR / EXPORTAR:
 SHARE
 CORE
BASE
|
|
| Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE | |
| Título: | Can the MaxFlux algorithm describe bifurcating paths? |
Autor: | Jiménez, Aurora CSIC; Crehuet, Ramón CSIC ORCID | Palabras clave: | MaxFlux algorithm Temperature-depedent Inflection points Maximum curvature |
Fecha de publicación: | 16-jun-2007 | Editor: | Springer Nature | Citación: | Theoretical Chemistry Accounts 118 (4): 769-775 (2007) | Resumen: | Temperature-dependent reaction paths have been calculated with theMaxFlux algorithm for a bifurcating region of the potential energy surface of the blocked alanine dipeptide. The resulting paths agree with an ensemble of trajectories generated with Transition Path sampling, which has also been used to determine product distributions. The Valley Ridge Inflection point has been shown to lie close to the point of maximum curvature of the MaxFlux paths. | Descripción: | 7 pages, 6 figures.-- Printed version published in Oct 2007. | Versión del editor: | http://dx.doi.org/10.1007/s00214-007-0290-x | URI: | http://hdl.handle.net/10261/9453 | DOI: | 10.1007/s00214-007-0290-x | ISSN: | 1432-881X | E-ISSN: | 1432-2234 |
| Aparece en las colecciones: | (IQAC) Artículos |
Mostrar el registro completo
CORE Recommender
SCOPUSTM
Citations
6
checked on 22-abr-2024
WEB OF SCIENCETM
Citations
7
checked on 22-feb-2024
Page view(s)
390
checked on 24-abr-2024
Google ScholarTM
Check
Altmetric
Altmetric
NOTA: Los ítems de Digital.CSIC están protegidos por copyright, con todos los derechos reservados, a menos que se indique lo contrario.