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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 87 (1987), S. 5687-5693 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: An exact quantum close-coupling calculation of rotationally inelastic scattering cross sections is performed for the best available anisotropic Ar–O2 potential. 110 coupled channels for 10 rotational states are included for the first 99 partial waves. The convergence is demonstrated with up to 156 coupled channels test calculations for selected partial waves. The results agree qualitatively with former IOS calculations of these cross sections and confirm an about 30% to 50% too small anisotropy of the employed potential.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 90 (1989), S. 2639-2650 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Three recently proposed anisotropic potential energy surfaces (PES) for the He+N2 (1Σg) system are employed to compute differential scattering cross sections, total and state-to-state rotationally inelastic, at two collision energies for which accurate molecular beam experiments are already available. The experiments have provided scattering angular distributions which resolved, in one case, rotational energy losses (at 27.7 meV) and which, in the other case, were able to yield only total differential cross sections (at 70.4 meV). Rigorous close-coupling (CC) calculations at both energies are compared with IOSA (infinite order sudden approximation) results and with the experimental data. The ensuing discussion shows that only one PES, the recently proposed M3SV form, appears to have the correct anisotropic behavior in agreement with all experimental data.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 85 (1986), S. 2671-2683 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In a crossed molecular beams Ar–O2 time-of-flight scattering experiment individual rotational state-to-state transitions are observed up to values of Δj=18. For the collision energy Ec.m.=97 meV a maximum of excitation is found in the neighborhood of the 1→13 rotational transition. In the total differential cross section fast diffraction oscillations could experimentally be resolved. In addition, a new method is explored for extracting cross section information on specific rotational transitions from measurements of appropriate out-of-plane and in-plane total differential laboratory cross sections only. A preliminary comparison of the experiment with theory indicates a need for substantial corrections in the anisotropy of the most recent Ar–O2 potential by as much as 0.2 A(ring).
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 94 (1991), S. 4676-4677 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Review of Scientific Instruments 56 (1985), S. 2038-2042 
    ISSN: 1089-7623
    Source: AIP Digital Archive
    Topics: Physics , Electrical Engineering, Measurement and Control Technology
    Notes: The characteristics of a molecular beam from a piezoelectric pulsed nozzle source are given and, where appropriate, compared to a continuous beam. These include variation during the pulse in the relative intensity and speed ratio for the gases He, Ar, Ne, and N2. The measurements were made by standard time-of-flight and laser-induced fluorescence techniques. For gas valve pulses of time duration less than 500 μs, there was a single peak during which the gases reached continuum steady flow behavior. Typical speed ratios (parallel temperatures) for the gases He, Ar, Ne, and N2 were 19, 34, 34, and 20 (2.1, 0.7, 0.7, and 1.9 K), respectively. These values are comparable to those from a continuous source with equivalent values of p0d, the product of source pressure and nozzle diameter. The dimer concentrations for Ne and Ar were also measured and found to be 0.4% and 0.7%, respectively. A major problem with the valve was its inability to open fully because of the limited motion of the piezoelectric element.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Chemical Physics Letters 18 (1973), S. 87-90 
    ISSN: 0009-2614
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 7
    ISSN: 0009-2614
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 8
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: High resolution time of flight spectra of DF products have been measured for 12 different center-of-mass angles in the range θc.m.=114° to 180° for the reaction F+D2→DF+D at a center-of-mass collision energy of Ec.m.=82.5±2.6 meV. The resolution is sufficient to clearly resolve the different final product vibrational states and to extract rotational product distributions for each of the vibrational states. Absolute reactive cross sections for the final vibrational states vf=1, 2, 3, and 4 were determined from a careful calibration of the beam source intensities and detector sensitivity. For all final vibrational states, nearly the same large rotational surprisal values of aitch-theta¯R=5.3 were found. From the rotational distributions, it has also been possible to estimate opacity functions for these final vf states via the method of Elsum and Gordon [J. Chem. Phys. 76, 3009 (1982)]. The angular distributions for different vf states are compared to recent infinite order sudden approximation (IOSA) and classical trajectory calculations and the general trends with angle are in good agreement. The absolute values of the differential cross sections differ by as much as a factor of 10. The overall reactive cross section is smaller by about a factor of 2 than the most recent classical trajectory calculations, but the difference is barely within the large experimental errors. These new experiments provide critical data for further improving the parameters of the potential hypersurface.
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 101 (1994), S. 8800-8811 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: New measurements of the elastic and rotationally inelastic differential cross sections for the Ne–D2, Ne–H2 system are compared with exact and approximate quantum calculations. The three most recent high quality, semiempirical interaction potentials available in the literature for the Ne–H2 system yield consistent theoretical scattering cross sections for Ne–H2 and for Ne–D2. They also agree with previous and with present inelastic cross section measurements for D2. However, the theory underestimates by 30% the newly measured rotational excitation in Ne–H2 collisions discussed here. We therefore propose a new potential with a modified repulsive barrier that succeeds in describing both Ne–D2 and Ne–H2 rotationally inelastic scattering experiments for j=0→j'=2 within an accuracy of a few percent.
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 110 (1999), S. 10231-10234 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Time-of-flight spectra of HF products in the v′=2 vibrational state from reactive scattering of F atoms from para-H2 exhibit at least four smaller peaks which are assigned to the rotational states j′=7, 8, 9, and 10. The center-of-mass rotational distributions are in good agreement with accurate quantum mechanical and approximate coupled states calculations. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
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