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  • 1
    Electronic Resource
    Electronic Resource
    Effects of Pressure on the Equilibrium Properties of Glass-Forming Polymers (1976)
    s.l. : American Chemical Society
    Macromolecules 9 (1976), S. 763-771 
    Details
    ISSN: 1520-5835
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ma60053a015
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  • 2
    Electronic Resource
    Electronic Resource
    Dipole Moment, Induction and Structure in Four Fluorine-substituted Molecules1 (1951)
    s.l. : American Chemical Society
    Journal of the American Chemical Society 73 (1951), S. 5115-5118 
    Details
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ja01155a029
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  • 3
    Electronic Resource
    Electronic Resource
    Hybridization and Dipole M'oment. (1955)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 59 (1955), S. 644-649 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j150529a017
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  • 4
    Electronic Resource
    Electronic Resource
    ON THE NATURE OF LIQUID WATER (1977)
    Oxford, UK : Blackwell Publishing Ltd
    Annals of the New York Academy of Sciences 303 (1977), S. 0 
    Details
    ISSN: 1749-6632
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Natural Sciences in General
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1749-6632.1977.tb55914.x
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  • 5
    Electronic Resource
    Electronic Resource
    Nuclear Relaxation in Phospholipids and Biological Membranes (1970)
    [s.l.] : Nature Publishing Group
    Nature 225 (1970), S. 743-744 
    Details
    ISSN: 1476-4687
    Source: Nature Archives 1869 - 2009
    Topics: Biology , Chemistry and Pharmacology , Medicine , Natural Sciences in General , Physics
    Notes: [Auszug] The interpretation of linewidths in terms of correlation times is also valid for isotropic solutions of detergent micelles5 and for serum lipoproteins47, but extension of these ideas to anisotropic particulate systems such as cell membranes or phospholipids dispersed in water may not be justified. ...
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1038/225743a0
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  • 6
    Electronic Resource
    Electronic Resource
    An adaptation of the lattice gas to the water problem. II. Second-order approximation (1974)
    Springer
    Journal of statistical physics 10 (1974), S. 351-378 
    Details
    ISSN: 1572-9613
    Keywords: Statistical thermodynamics ; water ; lattice-gas model ; “gel” ; hydrogen bond ; functional derivative formulation ; perturbation theory ; second-order approximation ; density maximum ; phase diagram
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The adaptation of the lattice-gas model to embody features possessed by water is further explored. On the basis of Martin's functional derivative formulation of Ising problems, a perturbation scheme is developed which allows calculation of the free energy to any desired order in the interaction potential at fixed density. The free energy correct to second order in the interaction strength is utilized here for calculation of other thermodynamic properties of the model. With reasonable choices of values of the interaction parameters these thermodynamic properties of the model can be brought into agreement with those of real water.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01008799
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  • 7
    Electronic Resource
    Electronic Resource
    Stochastic theory for rate constants of chemical reactions in liquid solution (1975)
    Springer
    Journal of statistical physics 12 (1975), S. 375-401 
    Details
    ISSN: 1572-9613
    Keywords: Chemical kinetics ; stochastic master equation ; transition state theory ; liquid solution ; catalysis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The stochastic model of irreversible processes is developed in a fashion that yields expressions for the magnitudes and temperature dependences of chemical reaction rate constants. The model is sufficiently abstract to encompass reactions in liquids as well as those in gases. For liquid reactions both the general point of view and one feature of the results (the “frequency factor”) are apparently new. For gas reactions the viewpoints and the results are compatible with (though not as detailed as) those of well-established collision theory. An approximation (to the effect that nonreactive but energy-redistributing transitions are much more frequent than reactive ones) may limit the quantitative, though not the schematic, application of this development to reactions in the presence of an excess of inert diluent. The traditional assumption to the effect that reactants are in equilibrium with “activated complexes” (whether or not such exist in the sense of possessing well-defined microstates) is avoided. As in previous discussion of sufficient conditions for an Arrhenius rate law, in which certain complicating features (treated here) of the case of chemical reactions were ignored, the method used here involves taking explicit account of the role of those (rapidly equilibrating via frequent nonreactive transitions) degrees of freedom that serve as the activation-energy-supplying (and temperature defining) “reservoir” by use of an especially detailed form of stochastic master equation. A concise form for the master equation facilitates (1) the appropriate extension of the previously described steady state treatment of the case in which a “transition state” lasts sufficiently long to be internally equilibrated and (2) the treatment of the probably more realistic case in which reactants undergo transitions directly to products without a definable intermediate and in which “transition state” can only be defined in terms of an energy threshold in the reaction transition probability. The latter case is a generalization to arbitrary density of that originally treated by Ross and Mazur within the framework of collision theory for bimoleculear dilute gas reactions. The familiar exponential dependence on “free energy of activation” is obtained for both cases, but the physical basis for it is different (in both cases) from that provided by the classical version of transition state theory. The “frequency factor” is not in either case simplykT/h but rather is dependent on the fundamental couplings within the system. It is also dependent on an effective “number of states” of reactants, products, and reservoir. A brief discussion of the possible significance of this latter feature in both enzymatic catalysis and heterogeneous catalysis is presented.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01012884
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  • 8
    Electronic Resource
    Electronic Resource
    Bimodality and long-range order in ideal Bose systems (1982)
    Springer
    Journal of statistical physics 28 (1982), S. 685-710 
    Details
    ISSN: 1572-9613
    Keywords: Cluster expansion ; Bell polynomials ; Bose-Einstein condensation ; cluster size distribution ; Kac density
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The cluster expansion for the classical and the quantum canonical partition function are related to the Bell polynomials. This observation is exploited in derivation of a set of recursion relations that render tractable numerical evaluation of quantities such as mean cluster size distributions and pressure isotherms. The exact volume dependences of properties of an ideal Bose gas are calculated under periodic boundary conditions. Numerical calculations with volume-independent cluster integrals show bimodal distributions in the mean cluster weight for two- and three-dimensional ideal Bose gases at sufficiently low temperature and high density. The variation of the size at which the liquid (condensate) peak appears indicates that the liquid clusters are macroscopic in macroscopic systems. The similarity between the Bose-Einstein condensation and the sol→gel transition in nonlinear chemically polymerizing systems is discussed. When the exact volume dependence of the cluster integrals is taken into account, the mean cluster weight distribution becomes “chair shaped” rather than bimodal and displays no diagonal long-range order in the canonical ensemble. The “Kac density” for an ideal Bose gas implies that in the canonical ensemble the Ursell function satisfies a cluster property in the limit in which the coordinates of the particles are widely separated.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01011876
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  • 9
    Electronic Resource
    Electronic Resource
    Application of stochastic theory to dilute gas reactions (1976)
    Springer
    Journal of statistical physics 14 (1976), S. 271-289 
    Details
    ISSN: 1572-9613
    Keywords: Chemical kinetics ; Boltzmann equation ; transition state theory ; gas phase
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The stochastic approach to chemical kinetics discussed previously is specialized to dilute gas reactions. In this limit the stochastic master equations are Boltzmann equations for which collision theory is used. Internal rearrangement reactions, both in the presence and absence of inert diluent, and bimolecular reactions, in the absence of inert diluent, are discussed in some detail. In the latter case the “reservoir” role must be played by translational and internal degrees of freedom of the reactants (and products) themselves. The rate constants for the reaction can be explicitly calculated in terms of cross sections in both the limit of long-lived (i.e., internally equilibrated) and that of short-lived (decomposing before exchanging energy with other molecules) “activated complexes.” It is found that the Arrhenius temperature factors are identical in these two limits. In addition the “frequency” factors are similar but involve slightly different averages (over energy) of the same cross sections.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01023629
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  • 10
    Electronic Resource
    Electronic Resource
    An adaptation of the lattice gas to the water problem (1974)
    Springer
    Journal of statistical physics 10 (1974), S. 157-173 
    Details
    ISSN: 1572-9613
    Keywords: Water ; lattice gas ; liquid-vapor phase transition ; hydrogen bond ; “gel” ; tetrahedral ; body-centered cubic ; virial coefficients
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The lattice-gas approach is generalized to incorporate features of the configurational problem posed by the randomly hydrogen-bonded “gel” model for liquid water. Because it possesses sublattices characterized by tetrahedral angles associated with triads of sites, a body-centered cubic (bcc) lattice is used. Each water molecule is allowed 12 orientations with respect to the bcc lattice. When two nearest neighbors have relative orientations which permit hydrogen bonding, they are assigned a hydrogen bond energy. When hydrogen bonding is not permitted the pair is assigned one of two weaker interaction energies. Like the simple lattice gas, this model displays a “vapor-liquid” phase transition. The critical site density proves to be less than 1/2. The model should also exhibit a transition to a solid phase as a result of the possibility of complete hydrogen bonding associated with exclusive occupation of one sublattice. Excellent agreement is obtained with the observed temperature dependence of the second virial coefficient. The agreement in the case of the third virial coefficient is poor, however. The mean field approximation is shown to be inadequate for quantitative description of the vapor-liquid transition and the properties of the liquid phase.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01009718
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