Resonances. In Electron-Molecule Scattering, van der Waals by Donald G., ed. Truhlar

By Donald G., ed. Truhlar

content material: Roles performed via metastable states in chemistry / Jack Simons --
Direct variational tools for complicated resonance energies / C. William McCurdy --
advanced power quantization for molecular platforms / R. Lefebvre --
Approximate quantum ways to the calculation of resonances in reactive and nonreactive scattering / Joel M. Bowman, Ki Tung Lee, Hubert Romanowski, and Lawrence B. Harding --
Resonances in electron-molecule scattering and photoionization / B.I. Schneider and L.A. Collins --
Dynamics of molecular photoionization strategies / D.L. Lynch, V. McKoy, and R.R. Lucchese --
Molecular photoionization resonances : a theoretical chemist's viewpoint / P.W. Langhoff --
form resonances in molecular fields / J.L. Dehmer --
transitority unfavorable ion states in hydrocarbons and their derivatives / K.D. Jordan and P.D. Burrow --
unfavorable ion states of 3- and 4-membered ring hydrocarbons studied via electron transmission spectroscopy / Allison E. Howard and Stuart W. Staley --
Anion resonance states of organometallic molecules / Judith C. Giordan, John H. Moore, and John A. Tossell --
Vibrational-librational excitation and form resonances in electron scattering from condensed N₂, CO, O₂, and NO / L. Sanche and M. Michaud --
Vibrational predissociation of small van der Waals molecules / Robert J. Le Roy --
Complex-coordinate coupled-channel tools for predissociating resonances in van der Waals molecules / Shih-I Chu --
Vibrationally excited states of polyatomic van der Waals molecules : lifetimes and rot mechanisms / W. Ronald Gentry --
Photodissociation of van der Waals molecules : do angular momentum constraints ascertain decay premiums? / M.P. Casassa, Colin M. Western, and Kenneth C. Janda --
Classical, semiclassical, and quantum dynamics of long-lived hugely excited vibrational states of triatoms / R.M. Hedges, Jr., R.T. Skodje, F. Borondo, and W.P. Reinhardt --
The intramolecular dynamics of hugely excited carbonyl sulfide (OCS) / Michael J. Davis and Albert F. Wagner --
Vibrationally bonded molecules : the line from resonances to a brand new kind of chemical bond / Joachim Römelt and Eli Pollak --
Bimolecular reactive collisions : adiabatic and nonadiabatic tools for energies, lifetimes, and branching chances / Bruce C. Garrett, David W. Schwenke, Rex T. Skodje, Devarajan Thirumalai, Todd C. Thompson, and Donald G. Truhlar --
Atom-diatom resonances inside of a many-body method of reactive scattering / David A. Micha and Zeki C. Kuruoglu --
Resonances within the collisional excitation of carbon monoxide via speedy hydrogen atoms / Lynn C. Geiger, George C. Schatz, and Bruce C. Garrett --
Resonant quasi-periodic and periodic orbits for the three-d response of fluorine atoms with hydrogen molecules / C.C. Marston and Robert E. Wyatt --
Resonance phenomena in quantal reactive infinite-order unexpected calculations / Z.H. Zhang, N. Abusalbi, M. Baer, D.J. Kouri, and J. Jellinek --
Dynamic resonances within the response of fluorine atoms with hydrogen molecules / D.M. Neumark, A.M. Wodtke, G.N. Robinson, C.C. Hayden, and Y.T. Lee --
Reactive resonances and angular distributions within the rotating linear version / Edward F. Hayes and Robert B. Walker.

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Additional resources for Resonances. In Electron-Molecule Scattering, van der Waals Complexes, and Reactive Chemical Dynamics

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Even with an i n i t i a l r a t i o contaminated by the ingoing component, the outgoing component which increases i n an inward propagation w i l l always dominate. ; ACS Symposium Series; American Chemical Society: Washington, DC, 1984. 40 RESONANCES v i r t u a l states, with or without rotation, the reverse i s true (19) and the inward propagation f a i l s to produce the correct r a t i o . Table II Building of a correct Siegert r a t i o when s t a r t i n g from the inverse of the Siegert r a t i o .

Phys. L e t t . , 1979, 71A, 211. , J. Phys. B. 1973, 6, 614. ; ACS Symposium Series; American Chemical Society: Washington, DC, 1984. 42 RESONANCES 17. , "Potential scattering" ; 1965 North-Holland, Amsterdam. 18. , Helv. Phys. Acta, 1947, 20, 256. 19. Atabek, O. , J . Phys. , 1982, 15, 2689. 20. , Phys. Rev. , 1983, 27, 2946. 21. Atabek, O. , Int. J . Quant. , 1981, 19, 901. 22. , Chem. Phys. , 1976, 38, 349. 23. , J . Phys. B, 1982, 15, 3647. 24. Turner, J . , Chem. , 1982, 71, 127. 25. , Chem.

For the determination of P ( r ) the propagation i s f i r s t along a rotated axis u n t i l point r i s reached. The propagation has then to continue along the real axis (we assume r < r ) . The observation has been made (J4) that the change of path from complex to real can be per­ formed very accurately by using the Numerov algorithm with variable steps hj and h ( i n which case the step i s hj=-he just before r and h =-h just after i t ) . ; ACS Symposium Series; American Chemical Society: Washington, DC, 1984.

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