Article ID Journal Published Year Pages File Type
5383783 Chemical Physics Letters 2011 6 Pages PDF
Abstract
►We compare the performance of RD and mixed-Q/C direct computations of k(T). ► We found that the two approaches afford very similar results. ► The computational cost of RD calculations is the smallest. ► We conclude that the RD approach should be preferred to the mixed-Q/C one.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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