Article ID Journal Published Year Pages File Type
5383748 Chemical Physics Letters 2011 5 Pages PDF
Abstract
► Formalism for investigating transition pathways. ► Driven simulations are used to calculate relative reaction rates. ► Nonequilibrium work measurements used to relate equilibrium and driven reaction rates. ► A polyproline system numerically used to test results.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Calculating relative transition rates with driven nonequilibrium simulations
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