ALBERT

All Library Books, journals and Electronic Records Telegrafenberg

X
feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
  • 1
    Electronic Resource
    Electronic Resource
    An approximate three-dimensional quantum mechanical calculation of reactive scattering cross sections for the atomic hydrogen + molecular chlorine(v) .fwdarw. hydrogen chloride(v') + atomic chlorine reaction (1985)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 89 (1985), S. 4007-4016 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100265a016
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    Vibrationally inelastic collision cross sections of He+SO2: Distorted wave approach (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 3509-3515 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Vibrational excitation and relaxation cross sections of He colliding with SO2 molecule are evaluated. The results obtained rely on several approximate methods. The infinite-order-sudden approximation provides the framework for treating the rotational motion, while the vibrational processes are described using both exact close-coupling and approximate distorted wave techniques. The latter scheme permits the computations to be extended to much higher collisional energies than so far reported in the literature. Vibrational excitation and relaxation cross sections are presented over a range of collision energies.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.456881
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 3
    Electronic Resource
    Electronic Resource
    Fixed angle reactor model calculations for the D+H2(v=0,1)→HD(v'=0,1,2)+H reaction (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 90 (1989), S. 888-898 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: An approximate three-dimensional quantum mechanical method, the fixed angle reactor model (FARM), is reviewed and applied to the D+H2→HD+H reaction. Calculated integral and differential cross sections and rate constants are presented and compared with other calculations and with experimental data. Good agreement is found between calculated and experimental rate constants. The effects of tunneling are clearly apparent in the temperature dependence of the rate constant for the D+H2(v=1)→HD+H reaction.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.456114
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 4
    Electronic Resource
    Electronic Resource
    Frame transformation theory for heavy particle scattering: Application to the rotational predissociation of Ar–H2 (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 6508-6519 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The frame transformation concept, which is standardly used in discussions of atomic and molecular Rydberg spectra, is applied to heavy particle scattering theory. It is shown how this approach permits the use of an optimal reference frame in the various different ranges of the scattering coordinate. It is further argued that the accuracy of the coupled states or p-helicity decoupling approximations may be significantly improved without substantial additional computational effort especially for low energy scattering processes, through the use of frame transformation procedures. The method is then applied to the calculation of the photodissociation line shapes for the rotational predissociation of Ar–H2 within the framework of generalized multichannel quantum defect theory (MQDT). It is shown how the use of the frame transformation procedure yields reasonably correct product rotational state distributions in situations where the standard coupled states or body-fixed decoupling procedure fails even at the qualitative level. The paper also reviews the application of generalized MQDT to heavy particle scattering processes.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.458968
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 5
    Electronic Resource
    Electronic Resource
    Reflection and transmission of waves by a complex potential—a semiclassical Jeffreys–Wentzel–Kramers–Brillouin treatment (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 96 (1992), S. 7615-7622 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In this paper, the reflection and transmission of plane waves are examined from a complex potential. Such potentials have the property of absorbing wave packets incident on them and are used widely in time-dependent quantum scattering theory. The purpose of the study is to determine the optimal form of potential to be used for absorbing wave packets near the edges of finite grids in coordinate space. The best potentials for such purposes lead to the minimum possible transmission and reflection of the incident wave packet. The Jeffreys–Wentzel–Kramers–Brillouin (JWKB) theory is used to address this problem and a new form for the optimal complex potential is proposed. A scaled dimensionless form of the Schrödinger equation is also derived, so that the parameters of any optimized potential obtained for a particular collision energy and mass combination may be readily converted to apply to a new set of masses and energies.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.462414
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 6
    Electronic Resource
    Electronic Resource
    Parametrization of complex absorbing potentials for time-dependent quantum dynamics (1992)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 96 (1992), S. 8712-8719 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100201a012
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 7
    Electronic Resource
    Electronic Resource
    Study of quantum resonance behavior in the atomic chlorine + molecular hydrogen .fwdarw. hydrogen chloride + atomic hydrogen reaction (1985)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 89 (1985), S. 5655-5658 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100272a016
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 8
    Electronic Resource
    Electronic Resource
    The approximate quantum mechanical calculation of reactive scattering cross sections: The fixed angle reactor model (FARM) (1986)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 85 (1986), S. 2614-2623 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: An approximate three-dimensional quantum mechanical method for the calculation of atom–diatom reactive scattering cross sections is described and tested by application to the H+H2→H2+H problem. The method, known as the fixed angle reactor model (FARM), combines reactive quantum mechanical calculations performed at fixed angles to yield differential and integral cross sections. It encompasses the best features of the bending corrected rotating linear model (BCRLM) and the reactive infinite order sudden (RIOS) methods, while correcting shortcomings of both. The FARM method is shown to yield reliable reactive cross sections at both low energies in the threshold region and at high energies.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.451070
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 9
    Electronic Resource
    Electronic Resource
    Dynamics of OH Λ-doublet production through photodissociation of water in its first absorption band. I. Formal theory (1986)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 84 (1986), S. 4443-4454 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The formal theory is presented for the photofragmentation of water into a hydrogen atom and an OH radical in its ground 2Π state. Full account is taken of the electron spin angular momentum, the electronic orbital angular momentum and the angular momentum generated by motion of the nuclei. A formula is presented which permits the calculation of the differential cross section for the production of individual OH(X 2Π)Λ-doublet states. From this formula others for less detailed cross sections are derived. In particular, an expression is presented for the integral photodissociation cross section for the production of OH Λ-doublet fragments. In all cases the formulas are specialized to apply to the A˜ 1B1 ← X 1A1 photodissociative transition of water. The general formalism that is developed however, transcends this particular application. It is clearly apparent how the formalism may be extended to apply to many other cases of current experimental interest. Simplified formulas are derived to permit approximate Franck–Condon estimates of the photodissociation cross sections and product state distribution to be made.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.450015
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 10
    Electronic Resource
    Electronic Resource
    Theoretical calculation of photodissociation cross sections for the Ar–H2 van der Waals complex (1985)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 82 (1985), S. 93-105 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Accurate benchmark calculations of the photodissociaton cross sections for the Ar-H2 van der Waals molecule are presented. Both the bound ground state of the van der Waals molecule and the predissociative (or continuum) upper state are treated by solving sets of coupled differential equations. Calculation of the photodissociation cross section involves computation of the matrix element of the dipole moment function between the wave functions corresponding to these two states. These matrix elements are efficiently evaluated using the "artificial channel method.'' Absolute values of photodissociation cross sections are presented for a large number of predissociative spectroscopic transitions. Cross sections for both vibrational and rotational predissociation processes are studied. The line shapes of the spectral absorption lines are obtained naturally by mapping out the total photodissociation cross sections over the width of the spectral transition. In some cases corresponding to high rotational states of the H2 photofragment, non-Lorentzian line shapes are observed. The quantum state distribution of the product photofragments are also reported.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.448740
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...