Article ID Journal Published Year Pages File Type
5376923 Chemical Physics 2006 8 Pages PDF
Abstract
Theoretical models for chemical exchange reactions such as CVCV-model, information theoretical approach (ITA), Macheret-model, Park-model and intuition empirical alpha-model have been verified using quasiclassical trajectory (QCT) calculations results. Key parameters of these models have been obtained and the area of their applicability has been revealed.
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Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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Verification of theoretical models of chemical exchange reactions on the basis of quasiclassical trajectory calculations
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