Introduction to Molecular Dynamics and Chemical Kinetics

introduction to molecular dynamics and chemical kinetics

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Introduction to Molecular Dynamics and Chemical Kinetics

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Book Description
The first text to cover both molecular reaction dynamics and chemical kinetics and their respective theories in a single source. After introductory material, the monograph goes on to cover interaction potentials; relative motion and the collisional approach for chemical reaction in the gas phase; partition functions; transition state theory; unimolecualr reactions; molecular reactions calculations; non-adiabatic transitions; surface kinetics; chemical reactions in solution; energetic changes in solvating a molecule; transition state theory in solution; models for diffusion; Kramers' theory of viscosity of solvent in chemical reactions; and electronic transfer reactions in solution. Also includes problems and solved exercises.

Book Info
Unified treatment of molecular reaction dynamics and chemical kinetics in the gas phase, on surfaces, and in solution. Covers all the basic concepts and practices related to mathematical model systems. DLC: Molecular dynamics.

Introduction to Molecular Dynamics and Chemical Kinetics

Introduction to Molecular Dynamics and Chemical Kinetics,Gert Due Billing,Kurt V. Mikkelsen,John Wiley & Sons,0471127396,Chemical kinetics,Chemistry - Physical & Theoretical,Molecular Chemistry,Molecular dynamics,Science,Science/Mathematics,Atomic & molecular physics,Chemical physics,Science / Chemistry / Physical & Theoretical

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