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  • 1
    Electronic Resource
    Electronic Resource
    Reactive line-shape narrowing in low-temperature inhomogeneous geminate recombination of CO to myoglobin (1988)
    s.l. : American Chemical Society
    Biochemistry 27 (1988), S. 3507-3511 
    Details
    ISSN: 1520-4995
    Source: ACS Legacy Archives
    Topics: Biology , Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/bi00409a057
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  • 2
    Electronic Resource
    Electronic Resource
    Perpendicular effects on transition-state structure: model and application to cycloadditions and sigmatropic shifts (1984)
    s.l. : American Chemical Society
    Journal of the American Chemical Society 106 (1984), S. 6960-6962 
    Details
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ja00335a015
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Is there a nitroalkane anomaly? (1980)
    s.l. : American Chemical Society
    Journal of the American Chemical Society 102 (1980), S. 2164-2167 
    Details
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ja00527a003
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  • 4
    Electronic Resource
    Electronic Resource
    Geminate recombination in proton-transfer reactions. II. Comparison of diffusional and kinetic schemes (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 88 (1988), S. 5631-5638 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The diffusional and kinetic approaches are compared for geminate dissociation–recombination reactions. When steady-state rate coefficients to and from a distance defined as a "complex cage'' are evaluated from the diffusion equation, one obtains encouraging agreement between the transient analytic solution of the rate equations and the exact numerical solution for diffusion with backreaction over a finite time regime. However, the rate equations cannot accurately describe the decay of the dissociating molecule for very long times, since as we prove below, the asymptotic decay according to the diffusional scheme is t−3/2, while for the rate equations it is exponential. New experiments, over an extended time regime confirm these conclusions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.454573
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  • 5
    Electronic Resource
    Electronic Resource
    Scavenging of one-dimensional diffusion with random traps (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 86 (1987), S. 5104-5109 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: For the process of one-dimensional diffusion in a medium with random traps and homogeneous scavenging, we derive exact expressions for the ultimate trapping and scavenging probabilities and for the lifetimes associated with the two processes. This is done for free diffusion, where results agree with those previously found for discrete random walk, as well as for diffusion in a linear potential. The asymptotic expansions, for small and large ratio of trap concentration to scavenging rate, are given and compared numerically to the exact integrals.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.452655
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  • 6
    Electronic Resource
    Electronic Resource
    Viscosity expansions in reactive diffusion processes (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 90 (1989), S. 3765-3775 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Properties of chemical reactions in systems undergoing diffusional motion depend on the ratio of chemical to diffusional rates. The present work deals with perturbation expansions in this quantity. For bounded diffusion, the Laplace transformed survival probability, mean lifetime, eigenvalues, and eigenfunctions are expanded in this ratio. The theory is developed mainly in the fast diffusion limit. In this limit, the survival probability for an initial equilibrium state is shown to be exponential up to linear order. For unbounded diffusion, expansions are derived for the steady-state concentration profile and rate coefficient. By inverting the series one obtains Padé-like approximations for rate coefficients with much improved convergence. Several examples are worked out in detail. These include the "radiation'' boundary condition, barrierless isomerization, steady-state binding, and Förster quenching.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.456650
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  • 7
    Electronic Resource
    Electronic Resource
    Erratum: Scavenging of one-dimensional diffusion with random traps [J. Chem. Phys. 86, 5104 (1987)] (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 87 (1987), S. 3711-3711 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.453747
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  • 8
    Electronic Resource
    Electronic Resource
    Theory of reversible diffusion-influenced reactions (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 92 (1990), S. 5270-5284 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A unified theory of reversible diffusion-influenced geminate and pseudo- first-order reactions is developed. Explicit results are presented for the time dependence of the fraction of molecules that are dissociated at time t for a variety of initial conditions. To introduce the basic ideas of our approach, an elementary and rather complete treatment of the irreversible reaction between a pair of interacting, spherically symmetric particles is presented. The focus is on deriving relations among survival probabilities and bimolecular time-dependent rate coefficients for the radiation and absorbing boundary conditions and the asymptotic behavior of these quantities. These relations are then generalized to reversible geminate reactions. For example, it is shown that the separation probability for an initially bound pair satisfies a simple convolution relation involving the survival probability of an irreversibly reacting geminate pair initially at contact. An analytic expression is obtained for this separation probability that is exact for free diffusion and is an accurate approximation for interacting particles. Finally, the Smoluchowski approach to irreversible pseudo-first-order reactions is extended to reversible reactions. The analysis is based on the generalization of the convolution relations that are rigorously valid for isolated pairs.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.458533
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  • 9
    Electronic Resource
    Electronic Resource
    Geminate recombination in proton-transfer reactions. IV. Ground-state yields (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 1524-1528 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Our calculations of proton–anion distance distribution functions for HPTS dissociation recombination in the excited state are extended to the nanosecond time regime. When these functions are used for averaging the ground-state recombination probability, good agreement with experimental ground-state recombination yields is obtained. The relation with the theory of "delayed'' geminate recombination is briefly discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.455149
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  • 10
    Electronic Resource
    Electronic Resource
    Theory of non-Markovian reversible dissociation reactions (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 6937-6942 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We consider a reversible dissociation–recombination reaction in solution which is described by a distribution of waiting times rather than a single dissociation rate constant. This is a non-Markovian generalization of the backreaction boundary condition. We formulate the new boundary condition in terms of the residence time in the bound state and illustrate the theory by assuming a stable-law density for the residence time. Explicit expressions are found for the Laplace transform of the survival probability in one and three dimensions, which can be inverted analytically for special values of the stable-law parameter α and numerically for other values of α. We derive the long-time behavior of the survival probability for arbitrary α, and note that the survival probability undergoes a first-order phase transition in one dimension, in which its asymptotic value changes abruptly at α=1/2. In three dimensions it undergoes a second-order phase transition at α=1, in which only the asymptotic slope of the survival probability changes discontinuously.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.457310
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