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  • 1
    Electronic Resource
    Electronic Resource
    Semiclassical quantization of vibrational systems using fast-Fourier transform methods: Application to HDO stretches (1991)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 94 (1991), S. 6036-6046 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Based on work by Martens and Ezra and partially developed independently by Eaker, we apply an improved method of approximating the quantum energy levels of a system of coupled oscillators using the fast-Fourier transform of classical coordinates and momenta to find quantizing trajectories. Application is made to a two-dimensional system modeling the stretching motions of the HDO molecule. The results are in excellent agreement with quantum calculations. This method is useful because: (1) it gives results which are independent of any separability of the Hamiltonian, (2) it is not limited in the number of degrees of freedom that can be handled, and (3) no zero-order approximation to the system is necessary. Results are equally valid inside and outside of resonance zones.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.460441
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Nonperturbative solutions of nonlinear differential equations using continued fractions (1988)
    College Park, Md. : American Institute of Physics (AIP)
    Journal of Mathematical Physics 29 (1988), S. 1761-1770 
    Details
    ISSN: 1089-7658
    Source: AIP Digital Archive
    Topics: Mathematics , Physics
    Notes: A new approach to the solution of nonlinear differential equations of mathematical physics is presented. Continued fractions are exploited to convert a power series of a solution into a closed form expression that yields an excellent approximation to the exact solution. These solutions contain the appropriate number of arbitrary constants to accommodate boundary conditions. The method is also shown to be capable of generating certain exact solutions. Evidence is provided for the conjecture that the known exact solutions are members of families of exact solutions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.527875
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    The molecular weight distribution for chain polymerization plus side reaction (1997)
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part B: Polymer Physics 35 (1997), S. 1711-1725 
    Details
    ISSN: 0887-6266
    Keywords: chain polymerization ; molecular weight distributions ; theoretical kinetics ; Physics ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The kinetics of chain polymerization is investigated for the case of a complicating side reaction. In addition to the polymerization reaction, Ai + M → Ai+1, there is a reversible side reaction, Ai + Q ↔ Bi. Initiation is assumed to be instantaneous. The monomer concentration M, and the concentration of the reacting species Q, are assumed to be constant. The reaction kinetics are solved exactly, yielding the distribution of living and dormant polymer, as well as the molecular weight distribution, as explicit functions of the reaction rate constants and the time. © 1997 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 35: 1711-1725, 1997
    Additional Material: 13 Ill.
    Type of Medium: Electronic Resource
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    Paper (German National Licenses)
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