Methods in Reaction Dynamics : Proceedings of the Mariapfarr Workshop (Lecture Notes in Chemistry 77) (2001. X, 193 S. 235 mm)

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536.33
English

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Methods in Reaction Dynamics is a collection of lectures given at the 1999 Mariapfarr Workshop in Theoretical Chemistry. Arranged as a series of detailed reviews, it provides an overview of quantum mechanical techniques used to describe and simulate the dynamics and kinetics of elementary chemical reactions. The volume provides in-depth discussions of selected topics in Theoretical Chemistry, such as quantum methods in theoretical and computational reaction dynamics and kinetics; time-dependent, time-independent and mixed quantum-classical techniques. Some of the topics have not been reviewed before in detail.

§16§Methods in Reaction Dynamics is a collection of lectures given at the 1999 Mariapfarr Workshop in Theoretical Chemistry. Arranged as a series of detailed reviews, it provides an overview of quantum mechanical techniques used to describe and simulate the dynamics and kinetics of elementary chemical reactions. The volume provides in-depth discussions of selected topics in Theoretical Chemistry, such as quantum methods in theoretical and computational reaction dynamics and kinetics; time-dependent, time-independent and mixed quantum-classical techniques. Some of the topics have not been reviewed before in detail. §04§Time Dependent Quantum Theory of Reactive Molecular Collisions.- Quantum Reactive Scattering: The Time - Independent Approach. I. Principles and Early Developments.- Quantum Reactive Scattering: The Time - Independent Approach. II. Current Methods and Developments.- The Reaction Path Method for Chemical Reactions.- Reaction rates.

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