Use computational methods in studying mechanism unimolecular decay
Application of computational methods in studying mechanism the thermal decomposition of uni molecular reactions ethers
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The aim of this work is develop the mechanism of decay of vinyl ethers by the formation of transition state (TS),in the level of quantum mechanical under thermal activation with format hydrogen bridge. resulting due to decomposition unimolecule to the two saturated components and calculate rate constant show that these processes are dependent on pressure. Thus are used mathematical computer programs allowing how to calculate values describing processes of parameters and visual image to show the process of decay. Develop the quantum mechanical explanation of processes of decay vinyl ethers by t...
The aim of this work is develop the mechanism of decay of vinyl ethers by the formation of transition state (TS),in the level of quantum mechanical under thermal activation with format hydrogen bridge. resulting due to decomposition unimolecule to the two saturated components and calculate rate constant show that these processes are dependent on pressure. Thus are used mathematical computer programs allowing how to calculate values describing processes of parameters and visual image to show the process of decay. Develop the quantum mechanical explanation of processes of decay vinyl ethers by the formation of ¿Hydrogen Bridge¿ under thermal activation of those compounds.
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