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  • 1
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 84 (1980), S. 3394-3401 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 100 (1994), S. 8026-8039 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We present experimental and theoretical differential cross sections for the fine structure changing process Ar + O(3P2)→Ar + O(3Pjmj) with (j,mj)=(1,1), (1,0), and (0,0). The measured cross sections refer to a collision energy of 3.2 kcal/mol, and were obtained from Doppler line shapes associated with (2+1) resonance-enhanced multiphoton ionization of O(3Pjmj) after scattering in a crossed-beam apparatus. The theoretical results are based on 3Σ− and 3Π potential curves obtained from high quality ab initio calculations, and on quantum coupled-channel calculations. The calculated differential cross sections show strong Stuckelberg oscillations, with similar magnitudes and phases for all three final states. With slight adjustment (0.03 A(ring)) of the hard wall on the 3Σ− curve, the calculated angular distributions match up well with the corresponding experimental results, much better than is found using previously derived empirical potentials. At the same time, the integral total cross sections obtained from the ab initio measurements are in satisfactory agreement with previous measurements.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Physical Chemistry 29 (1978), S. 363-396 
    ISSN: 0066-426X
    Source: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Topics: Chemistry and Pharmacology , Physics
    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 113 (2000), S. 11019-11034 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The potential energy surface of the HO+O(if and only if)HO2(if and only if)H+O2 reaction system is characterized by ab initio calculations. The complex-forming bimolecular reaction is then treated by statistical rate theory, using statistical adiabatic channel and classical trajectory calculations for the HO+O(if and only if)HO2 and HO2(if and only if)H+O2 association/dissociation processes. Specific rate constants k(E,J) of both reactions as well as thermal rate constants are calculated over wide ranges of conditions. Open shell quantum effects are important up to room temperature. The good agreement with experimental results suggests that the ab initio potential is of sufficient accuracy. There is no evidence for non-statistical effects or for a significant contribution from electronically excited states. The comparison with rate data for the H+O2→HO+O reaction, because of the remaining uncertainty in the heat of formation of HO, is somewhat inconclusive. Apart from this problem, the calculated rate constants appear reliable between 0 and 5000 K. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
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