Energy Storage and Redistribution in Molecules

1. The Calculation of Nuclear Motion Wave Functions in Rather Floppy Triatomic Molecules with CH 2 + as an Example

   • B. T. Sutcliffe

   Pages 337-355

2. Potential Energy Surfaces and Some Problems of Energy Conversion in Molecular Collisions

   • Lutz Zülicke

   Pages 357-373

3. Derivative Coupling Elements in Electronically Adiabatic Representations and Their Use in Scattering Calculations

   • Bruce C. Garrett, Donald G. Truhlar, Carl F. Melius

   Pages 375-395

4. Dynamical Calculations on Transport Processes

   • Dennis J. Diestler, John W. Allen

   Pages 397-422

5. A Comment on Dynamical Chaos in Classical and Quantum Mechanical Hamiltonian Systems

   • Stuart A. Rice

   Pages 423-465

6. Theoretical Analysis of Experimental Probes of Dynamics of Intramolecular Vibrational Relaxation

   • Karl F. Freed, Abraham Nitzan

   Pages 467-491

7. Some Kinetic and Spectroscopic Evidence on Intramolecular Relaxation Processes in Polyatomic Molecules

   • Martin Quack

   Pages 493-511

8. Vibrational Energy Relaxation from CH-Stretching Modes of Small Molecules in the Liquid

   • Sighart F. Fischer, Wolfgang Kaiser, Renate Zygan-Maus

   Pages 513-530

9. Irreversibility Questions in Chemistry, Quantum-Counting, and Time-Delay

   • Karl Gustafson

   Pages 531-541

10. Energy Scrambling Out in the Continuum: Weyl’s Theory and Predissociation

    • Erkki Brändas, Nils Elander

    Pages 543-555

11. Dynamical Equations for the Wigner Functions

    • Jens Peder Dahl

    Pages 557-571

12. Vibrational Motion in the Regular and Chaotic Regimes, Classical and Quantum Mechanics

    • R. A. Marcus

    Pages 573-583

13. Trajectory Calculations and Complex Collisions

    • Christoph G. Schlier

    Pages 585-599

14. New Principles in Condensed Phase Chemistry

    • S. A. Adelman

    Pages 601-610

We characterize an isolated molecule by its compos~t~on, i.e. the number and types of atoms forming the molecule, its structure, i.e. the geometrical arrangement of the composite atoms with respect to each other, and its possible, i.e. quantum mechanically allowed, stationary energy states. Conceptually we separate the latter, being aware that this is an approximation, into electronic, vibrational and rotational states, including fine and hyperfine structure splittings. To be sure, there is an intimate relation between molecular structure and molecular energy states, in fact it is this relation we use, when we obtain structural information through spectroscopy, where we determine transitions between various stationary states of the molecule. The concepts above have proven extremely useful in chemistry and spectroscopy, however, the awareness of the limitations of these concepts has grown in recent years with the increasing recognition of (i) fluctional molecules, (ii) multiphoton absorption processes and (iii) influences due to the surroundings on "isolated" molecules.

• atoms
• chaos
• dynamics
• energy
• energy conversion
• energy storage
• hyperfine
• laser
• mechanics
• molecule
• photon
• quantum mechanics
• spectroscopy
• symmetry
• wave

• University of Bielefeld, Bielefeld, Federal Republic of Germany

  Juergen Hinze

Policies and ethics