Introduction to Molecular Dynamics and Chemical Kinetics
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Описание:
The most complete introduction available to molecular dynamics and the calculation of rate of reaction This unique textbook provides a unified treatment of molecular reaction dynamics and chemical kinetics in the gas phase, on surfaces, and in solution. It goes beyond the standard textbook topics related to reactions to include concepts from molecular dynamics calculations as well as methods for treating reactions in solution. Featuring a thorough mathematical presentation that fosters understanding and mastery of all topics covered, Introduction to Molecular Dynamics and Chemical Kinetics: ? Covers all the basic concepts and practices related to mathematical model systems used to calculate probability for chemical reactions ? Provides complete theoretical discussions, including areas of Kramers? theory and Marcus theory dealing with reactions in solutions ? Introduces an innovative system of molecular units for molecular dynamics calculations––provides...Похожие книги
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