Article ID Journal Published Year Pages File Type
5391783 Chemical Physics Letters 2007 5 Pages PDF
Abstract
Quantum time-dependent wave packet calculations show that the rate constants on the new PES MB3 are in excellent agreement with the experimental results. The PES in the range far away from the collinear configuration has much larger influence on the reaction Br + H2 than that previously expected.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Quantum scattering calculation for Br + H2 reaction on a new ab initio potential energy surface
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