期刊
JOURNAL OF CHEMICAL PHYSICS
卷 122, 期 1, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.1818091
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资金
- CENTER FOR INFORMATION TECHNOLOGY [Z01CT000024] Funding Source: NIH RePORTER
- NATIONAL INSTITUTE OF DIABETES AND DIGESTIVE AND KIDNEY DISEASES [Z01DK029019] Funding Source: NIH RePORTER
For multidimensional activated rate processes controlled by diffusive crossing of a saddle point region, we show that a one-dimensional reaction coordinate can be constructed even when the diffusion anisotropy is arbitrary. The rate constant, found using the potential of mean force along this coordinate, is identical to that predicted by the multidimensional Kramers-Langer theory. This reaction coordinate minimizes the one-dimensional rate constant obtained using a trial reaction coordinate and is orthogonal to the stochastic separatrix, the transition state that separates reactants from products. (C) 2005 American Institute of Physics.
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