Molecular Reaction Dynamics

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Cambridge University Press, 04.06.2009
Molecular reaction dynamics is the study of chemical and physical transformations of matter at the molecular level. The understanding of how chemical reactions occur and how to control them is fundamental to chemists and interdisciplinary areas such as materials and nanoscience, rational drug design, environmental and astrochemistry. This book provides a thorough foundation to this area. The first half is introductory, detailing experimental techniques for initiating and probing reaction dynamics and the essential insights that have been gained. The second part explores key areas including photoselective chemistry, stereochemistry, chemical reactions in real time and chemical reaction dynamics in solutions and interfaces. Typical of the new challenges are molecular machines, enzyme action and molecular control. With problem sets included, this book is suitable for advanced undergraduate and graduate students, as well as being supplementary to chemical kinetics, physical chemistry, biophysics and materials science courses, and as a primer for practising scientists.
 

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Inhalt

The picketfence model
273
71 Laser photoexcitation and photodetection of diatomic molecules
276
72 Photodissociation dynamics
285
73 Bimolecular spectroscopy
308
74 Quantum control
318
Problems
322
Notes
326
Chemistry in real time
332

22 The approach motion of molecules
48
Problems
67
Notes
69
Introduction to reactive molecular collisions
73
Reaction rate under nonequilibrium conditions
81
32 Twobody microscopic dynamics of reactive collisions
83
Dynamics in strong laser fields a curvecrossing picture
99
Problems
101
Notes
106
Scattering as a probe of collision dynamics
109
42 Elastic scattering as a probe of the interaction potential
119
43 Elements of quantal scattering theory
125
44 Angular distribution for reactive molecular collisions
137
Problems
144
Notes
146
Introduction to polyatomic dynamics
148
51 Potential energy functions and chemical reactions
150
52 The classical trajectory approach to reaction dynamics
170
Monte Carlo sampling
176
53 Energy and dynamics of the chemical change
177
Massweighted coordinate systems
188
Problems
191
Notes
194
Structural considerations in the calculation of reaction rates
199
the rate of barrier crossing
200
Density of states and partition functions
211
62 RRKM theory and the rate of unimolecular reactions
213
63 Resolving final states and populations
228
The quantitative representation of flux contour maps
234
64 Characterization of energy disposal and energy requirements of chemical reactions
237
Problems
251
Notes
255
Photoselective chemistry access to the transition state region
262
81 Watching the breaking and making of chemical bonds
335
82 Chemical transformations
341
83 Control of chemical reactions with ultrashort pulses
346
Problems
350
Notes
351
Statechanging collisions molecular energy transfer
354
91 Vibrational energy transfer
361
92 Understanding the essentials of energy transfer
369
93 Electronic energy transfer
375
Problems
384
Notes
389
Stereodynamics
392
101 Controlling reagent approach geometry
393
102 Analyzing product polarization
400
103 Vector correlations
417
Problems
421
Notes
423
Dynamics in the condensed phase
425
111 Solvation
428
112 Barriercrossing dynamics
449
113 Interfaces
457
114 Understanding chemical reactivity in solution
462
Problems
467
Notes
470
Dynamics of gassurface interactions and reactions
473
121 Surface scattering
475
122 Dynamics on surfaces
480
spatiotemporal aspects of surface reactivity
489
Problems
493
Notes
496
Bibliography
498
Index
541
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Seite 6 - DH Maylotte, JC Polanyi, and KB Woodall, J. Chem. Phys. 57, 1547 (1972).

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