Ontology highlight
ABSTRACT:
SUBMITTER: Yu HY
PROVIDER: S-EPMC5247520 | biostudies-literature | 2016 Dec
REPOSITORIES: biostudies-literature
Yu Hsiu-Yu HY Eckmann David M DM Ayyaswamy Portonovo S PS Radhakrishnan Ravi R
Proceedings. Mathematical, physical, and engineering sciences 20161201 2196
The reactive flux formalism (Chandler 1978 <i>J. Chem. Phys.</i><b>68</b>, 2959-2970. (doi:10.1063/1.436049)) and the subsequent development of methods such as transition path sampling have laid the foundation for explicitly quantifying the rate process in terms of microscopic simulations. However, explicit methods to account for how the hydrodynamic correlations impact the transient reaction rate are missing in the colloidal literature. We show that the composite generalized Langevin equation ( ...[more]