Lagana, Antonio

Theory of Chemical Reaction Dynamics

Theory of Chemical Reaction Dynamics


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Table of contents

1. Asymptotic Interactions Between Open Shell Partners in Low Temperature Complex Formation: The H(X2S1/2) + O2 (X3?g?) and
O({}^3P_{j_O } ) + OH(X^2 Pi _{tilde Omega } ) Systems
A. I. Maergoiz, E. E. Nikitin, J. Troe, V. G. Ushakov

2. Differential Cross Sections for Abstraction Reactions of Halogen Atoms with Molecular Hydrogen Including Nonadiabatic Effects
Millard H. Alexander, Yi-Ren Tzeng, Dimitris Skouteris

3. On the Quantization of the Electronic Non-Adiabatic Coupling Terms: The H+H2 System as a Case Study
Gábor Halász, Ágnes Vibók, Alexander M. Mebel, Michael Baer

4. Non-Adiabatic Dynamics in the O+H2 Reaction: A Timeindependent Quantum Mechanical Study
B. Maiti, G. C. Schatz*

5. Nonadiabatic Transitions Between Asymptotically Degenerate States
V. I. Osherov, V. G. Ushakov, H. Nakamura

6. Coupling of Electron Momenta in Ion-Atom Collisions
B. M. Smirnov

7. Time-Dependent Wavepacket Calculations for Reactive Scattering and Photodissociation
Gabriel G. Balint-Kurti, Alex Brown

8. Quantum Dynamics of Insertion Reactions
Pascal Honvault, Jean-Michel Launay

9. Chebyshev Propagation and Applications to Scattering Problems
H. Guo

10. Molecular Dynamics: Energy Selected Bases
John C. Light, Hee-Seung Lee

11. Molecular Reaction Stereodynamics: In Search of Paths to Overcome Steric Hindrances to Reactivity
Vincenzo Aquilanti, Fernando Pirani, David Cappelletti, Franco Vecchiocattivi, Toshio Kasai

12. The Rotating Bond Umbrella Model Applied to Atom-Methane Reactions
Gunnar Nyman

13. Reaction Dynamics of Polyatomic Systems: FROM A + BCD ? AB + CD to X + YCZ3 ? XY + CZ3
Dong H. Zhang, Minghui Yang, Michael A. Collins, Soo-Y. Lee

14. Strong Acceleration of Chemical Reactions Arising Through the Effects of Rotational Excitation of Reagents on Collision Geometry
A. Miklavc

15. Dynamics Studies of the O(3P) + Ch4, C2H6 and C3H8 Reactions
Diego Troya, George C. Schatz

16. Quasiclassical Trajectory Studies of the Dynamics of Bimolecular Reactions of Vibrationally Highly Excited Molecules
Erika Bene, GyÖggy Lendvay, GyÖggy PÓta

17. Towards a Grid Based Universal Molecular Simulator
Antonio LaganÀ

18. Vibrational Predissociation: Quasiclassical Tunneling Through Classical Chaotic Sea
E. Nikitin, J. Troe

19. Some Recent Advances in the Modeling of Ion-Molecule Association Reactions
J. Troe

20. Vibrational Relaxation of Diatoms in Collisions with Atoms at Very Low Energies
E. I. Dashevskaya, E. Nikitin, I. Oref, J. Troe

21. Collisional Energy Transfer in the Gas Phase by Classical Trajectory Calculations
V. Bernstein, I. Oref

22. Manipulation of Atoms and Molecules with Laser Radiation and External Fields
Marcis Auzinsh

23. Photodissociation of Hydrogen Halides in a Cryogenic Rare Gas Environment: A Complex Approach to Simulations of Cluster Experiments
Petr Slaví?ek, Pavel Jungwirth

Keywords: Chemistry, Physical Chemistry, Atoms, Molecules, Clusters and Plasmas

Publication year
NATO Science Series II: Mathematics, Physics and Chemistry
Page amount
523 pages
Natural Sciences

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