Theories of Molecular Reaction Dynamics : the microscopic foundation of chemical kinetics / Niels Engholm Henriksen;
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Item type | Current library | Call number | Status | Date due | Barcode | Item holds |
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SNU LIBRARY | 541.394 HEN (Browse shelf(Opens below)) | Not For Loan | 27958 | ||
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SNU LIBRARY | 541.394 HEN (Browse shelf(Opens below)) | Checked out to Biswajit Guchhait (20501118) | 22/06/2022 00:00 | 27974 |
Part I. Gas-phase dynamics. From microscope to macroscope descriptions --
Potential energy surfaces --
Bimolecular reactions, dynamics of collisions --
Rate constants, reactive flux --
Bimolecular reactions, transition-state theory --
Unimolecular reactions --
Microscopic interpretations of Arrhenius parameters --
Part II. Condensed-phase dynamics. Introduction to condensed-phase dynamics --
Static solvent effects, transition-state theory --
Dynamic solvent effects: Kramers theory and beyond --
Part III. Appendices. Adiabatic and non-Adiabatic electron-nuclear dynamics --
Statistical mechanics --
Microscopic reversibility and detailed balance --
Cross-sections in various frames --
Internal kinetic energy, Jacobi coordinates --
Small-amplitude vibrations, normal-mode coordinates --
Quantum mechanics --
An integral --
Dynamics of random processes --
Multidimensional integrals, Monte Carlo method.
This book describes how chemical reactions take place at the atomic level and how one can calculate the rate of such reactions. The book features a systematic and comprehensive presentation of the subject with a wide range of examples and end-of-chapter problems
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