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  • American Institute of Physics (AIP)  (2)
  • 1995-1999  (2)
  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 2818-2828 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: This paper presents an approach based on the saddle-point approximation to study the equilibrium interactions between small molecules and macromolecules with a large number of sites. For this case, the application of the Darwin–Fowler method results in very simple expressions for the stoichiometric equilibrium constants and their corresponding free energies in terms of integrals of the binding curve plus a correction term which depends on the first derivatives of the binding curve in the points corresponding to an integer value of the mean occupation number. These expressions are simplified when the number of sites tends to infinity, providing an interpretation of the binding curve in terms of the stoichiometric stability constants. The formalism presented is applied to some simple complexation models, obtaining good values for the free energies involved. When heterogeneous complexation is assumed, simple expressions are obtained to relate the macroscopic description of the binding, given by the stoichiomeric constants, with the microscopic description in terms of the intrinsic stability constants or the affinity spectrum. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 75 (1999), S. 1503-1505 
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The intrinsic "self-trapped" hole center in KD2PO4 crystals has been identified using electron paramagnetic resonance and electron-nuclear double resonance. These defects, labeled [D2PO4]o centers, can be formed at 77 K by irradiating with either 60 kV x rays or the fourth harmonic (266 nm) of a pulsed Nd:YAG laser. The hole is equally shared by two adjacent oxygen ions, and hyperfine interactions with one phosphorus and two equivalent deuterons are observed. The sample used in this investigation was approximately 80% deuterated, thus both [D2PO4]o and [HDPO4]o centers were detected, with the former being dominant. These intrinsic self-trapped hole centers are of interest because of their potential role in the transient optical absorption produced in KD2PO4 crystals at room temperature by intense 266 nm laser pulses. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
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