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  • 1
    Electronic Resource
    Electronic Resource
    New implementation to approximate quantum mechanical treatment of atom-diatom chemical reactions (1986)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 90 (1986), S. 6176-6184 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100281a024
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Reaction dynamics of D+H2→DH+H: Effects of potential energy surface topography and usefulness of the constant centrifugal potential approximation (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 96 (1992), S. 339-348 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Two findings are reported for the D+H2→DH+H reaction on the basis of the exact quantum mechanical calculation for J=0, where J is total angular momentum. First, with use of the Liu–Siegbahn–Truhlar–Horowitz (LSTH) surface and the Varandas surface, we demonstrate that a rather small difference in potential energy surface (PES) induces a surprisingly large effect on reaction dynamics. Two origins of the discrepancy are pointed out and analyzed: (1) Noncollinear conformation in the reaction zone contributes to the reaction significantly despite the fact that the minimum energy path and the saddle point are located in the collinear configuration. (2) A difference in the distant part of PES also causes a discrepancy in the reaction dynamics indirectly, although this effect is much smaller than (1). Secondly, we investigate the validity of the constant centrifugal potential approximation (CCPA) based on the accurate results for J=0. The use of CCPA to estimate total cross section and rate constant is again proved to have practical utility as in the cases of the sudden and adiabatic approximations.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.462522
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Quantum mechanical study of the light-atom transfer reactions, O(3P)+XCl→OX+Cl (X=H,D). I. Reactions in the ground vibrational states (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 92 (1990), S. 6538-6547 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We present a three-dimensional quantum mechanical study of the light-atom transfer reaction O(3P)+XCl(vi=0)→OX(vf=0)+Cl(X=H,D), where vα represents the vibrational state in the α channel. The adiabatic-bend approximation reformulated in terms of the hyperspherical coordinates is employed to calculate the cross sections and rate constants. The potential energy surface used here is the Persky–Broida's LEPS-I. The results are compared with the available experimental data and quasiclassical trajectory calculations. A discrepancy is found between the present results and the quasiclassical trajectory results at low collision energies (low temperatures). This is a clear manifestation of the quantum mechanical tunneling effect. The present results of the rate constants and the kinetic isotope effect are generally in better agreement with experiment. The previously proposed constant centrifugal potential approximation (CCPA) is directly demonstrated to work well.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.458289
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  • 4
    Electronic Resource
    Electronic Resource
    Simultaneous formation of TiN and TiSi2 by lamp annealing in NH3 ambient and its application to diffusion barriers (1987)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 62 (1987), S. 4465-4470 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The dependence of TiN/TiSi2 bilayer formation on Si by lamp annealing of Ti upon annealing temperature, ambients, and impurity in Si was investigated. In NH3 ambient, nitridation ratio on undoped Si at 680 and 800 °C is 40% and 25%, respectively. When annealing is performed in N2, the nitridation ratio of Ti is only about 25% at both 680 and 800 °C. The above dependence of nitridation ratio on annealing ambient is due to the difference in decomposition energy of gas molecules. The nitridation ratio increases on arsenic-implanted Si because of a retardation effect of the arsenic on the silicidation reaction. The bilayer formation process was applied to the AlSi contact metallization on the n+ diffused layer. From measurements on electrical characteristics of the AlSi/TiN/TiSi2/n+ Si contact system, the following results were obtained: (1) Contact resisitivity is 3.5–5.3×10−7 Ω cm2. (2) The TiN/TiSi2 contact electrode is thermally stable against Al. In particular, when the bilayer is formed in NH3 at comparatively lower temperature, its thermal stability is still further improved. This is due to the formation of the thicker surface TiN layer.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.339035
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  • 5
    Electronic Resource
    Electronic Resource
    Dynamics of collinear asymmetric light atom transfer reactions (1985)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 83 (1985), S. 1599-1604 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The Rosen–Zener formula in its sophisticated form is shown to be applicable to asymmetric collinear light atom transfer reactions with near degeneracy of asymptotic vibrational levels. The formula is applied to simple model systems and is demonstrated to work well over a wide range of energy for both systems with and without reaction barrier. It is also discussed that effects of surface topology and masses on reaction dynamics are effectively investigated by hyperspherical coordinates.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.449396
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    Paper (German National Licenses)
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  • 6
    Electronic Resource
    Electronic Resource
    Growth fractions of breast cancer in relation to epidermal growth factor receptor and estrogen receptor (1990)
    Springer
    Surgery today 20 (1990), S. 327-330 
    Details
    ISSN: 1436-2813
    Keywords: growth fraction ; breast cancer ; EGF receptor ; Ki-67
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Growth fractions detected by a monoclonal antibody, Ki-67, were examined in 40 human breast cancer tissues and the results compared with the immunocytochemical reactivities of epidermal growth factor receptor (EGFR) and estrogen receptor (ER). The proportion of proliferating cells displaying Ki-67 positive staining was significantly higher in the EGFR positive tumors than in the EGFR negative tumors (p〈0.01). The average percentage of Ki-67 positive cells in the EGFR positive tumors was 19.9 per cent, whereas that in the EGFR negative tumors was 8.0 per cent. By contrast, an inverse relationship between the proportion of proliferating cells and ER positive cells detected by anti-ER monoclonal antibody was observed. This data indicated the difference in growth fractions with relation to the EGFR and ER status of breast cancer.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02470668
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