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  • Chemistry  (77)
  • Chemical Engineering  (17)
  • Adult  (6)
  • Computational Chemistry and Molecular Modeling  (4)
  • Physical Chemistry  (4)
  • Wiley-Blackwell  (81)
  • American Association for the Advancement of Science (AAAS)  (6)
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  • Wiley-Blackwell  (81)
  • American Association for the Advancement of Science (AAAS)  (6)
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  • 11
    Electronic Resource
    Electronic Resource
    Kinetics of nucleic acid-large ligand interactions: Multiplet-closure approximations and matrix-iteration techniques (1981)
    New York : Wiley-Blackwell
    Biopolymers 20 (1981), S. 1651-1669 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Approximate methods are developed and evaluated for treating the rate of binding ligands that cover several contiguous sites to a homogeneous one-dimensional lattice, which represents a nucleic acid or other linear biopolymer. The model requires as input only the number of lattice sites necessary for binding, the total number (possibly infinite) of lattice sites, and elementary rate constants for the cooperative and noncooperative association and dissociation of the ligand on the lattice. The computational methods employed are an extension of the triplet closure approximation from the helix-coil (single-site ligand) problem to the large ligand binding problem. It is found that consideration of clusters of n + 2 lattice sites, where each ligand covers n sites, gives a surprisingly accurate description of the kinetics. The approximation is implemented by an extension of the matrix-iteration approach proposed by Craig and Crothers. The effects of the finite lattice length, as well as the capability to treat ligand motion along the lattice, are incorporated. When all symmetries are taken into consideration, the time required for the matrix iteration calculation rises only linearly with the ligand length n and is considerably less than that of the Monte Carlo method, which is used as a standard for comparison.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.1981.360200808
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  • 12
    Electronic Resource
    Electronic Resource
    Kinetics of irreversible dissociation for proteins bound cooperatively to DNA (1984)
    New York : Wiley-Blackwell
    Biopolymers 23 (1984), S. 1249-1259 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We consider the irreversible dissociation kinetics of proteins that bind cooperatively and nonspecifically to DNA. Our model consists of an infinitely long one-dimensional nucleic acid lattice on which are bound protein ligands. A set of adjacent bound proteins forms a cluster of length n. A protein molecule may dissociate from any site within the bound cluster, not only from the ends, as was assumed in a previous model of this process due to Lohman [(1983) Biopolymers 22, 1697-1713]. By considering this additional pathway, we present a more general treatment of the dissociation kinetics of cooperatively bound ligands. We show that dissociation from the (n-2) internal positions of an n-cluster is an important pathway when the initial fractional saturation of the lattice is close to unity and the co operatively is low. When the fractional saturation is initially equal to 1 and the co operatively is low, our model does not give the zero-order dissociation kinetics predicted by the Lohman model.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.360230709
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  • 13
    Electronic Resource
    Electronic Resource
    Stationary properties of δE/δR (1987)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 31 (1987), S. 425-427 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: It is made clear that two different statements in the literature concerning energy derivatives are completely compatible by deriving them as two different interpretations of the same equation. Some other aspects of these results are also discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560310313
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  • 14
    Electronic Resource
    Electronic Resource
    On energy bounds derived from the conjugate eigenvalue problemThis work was supported by national science foundation grant GP-12832, National Aeronautics and Space Administration Grant NGL 50-002-001, and in part by the Mathematics Research Center, U.S. Army, under Contract DA-31-124-ARO-D-462. (1970)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 4 (1970), S. 453-463 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An upper bound for E0, which has been derived from the conjugate eigenvalue problem by Hall, is discussed. It is emphasized that the bound is only guaranteed when V is negative-definite. An alternative bound is presented which is free from this restriction, and the underlying iterative procedure is given. Hall's result is generalized to admit internuclear distances, and the theory is illustrated by a one-dimensional system with delta-function potentials. Some disadvantages of the approach are mentioned.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560040502
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  • 15
    Electronic Resource
    Electronic Resource
    Perturbation theory within the variation methodAspects of the variation method 2. (1977)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 11 (1977), S. 881-884 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Some of Moccia's formulas (Int. J. Quant. Chem. 8, 293 (1974)) for corrections to “not completely optimized variational parameters” are compared with those resulting from a perturbation theory analysis. It is not possible to choose the zero-order Hamiltonian (at least not in any simple way) so as to get exact agreement, but one choice does come close.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560110514
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  • 16
    Electronic Resource
    Electronic Resource
    Variable basis sets in perturbation theory: Numerical finite perturbation versus analytic approach (1979)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 15 (1979), S. 147-167 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We consider the problem of determining variational, external-field-dependent corrections to nonoptimal zero-field nonlinear parameters. Both a direct analytic perturbation analysis and finite perturbation methods are described in a general way and in detail for the SCF approximation. The abstract theory is illustrated by reference to the results of several explicit calculations. Also, the sensitivity of the results to the choice of zero-field values is discussed.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560150203
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  • 17
    Electronic Resource
    Electronic Resource
    Weitere Untersuchungen über das Verhalten quartärer Pyridiniumsalze und quartärer Salze anderer cyclischer Basen gegen Natriumhyposulfit, Na2S2O4 (1938)
    New York, NY : Wiley-Blackwell
    Helvetica Chimica Acta 21 (1938), S. 223-236 
    Details
    ISSN: 0018-019X
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/hlca.19380210135
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  • 18
    Electronic Resource
    Electronic Resource
    Environmental stress crack growth in medium-density polyethylene pipe (1981)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 26 (1981), S. 1049-1056 
    Details
    ISSN: 0021-8995
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/app.1981.070260327
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  • 19
    Electronic Resource
    Electronic Resource
    Cellulose hydrolysis after combined action of high pressure and shear deformation (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 34 (1987), S. 677-687 
    Details
    ISSN: 0021-8995
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/app.1987.070340221
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  • 20
    Electronic Resource
    Electronic Resource
    Potential of adhesives for the future (1962)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 6 (1962), S. 198-203 
    Details
    ISSN: 0021-8995
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Rapid technological advancements have contributed to the increasing application of adhesives. Because of these accomplishments, because of continuing materials research and process development activities, and because of their inherent advantages, adhesives have a great potential for the future. Requirements for the future impose a severe challenge on developmental capabilities. More severe structural requirements and environmental conditions may be expected. Because of increasing complexity and costs, there are requirements for significantly higher orders of reliability and lower fabrication costs. Improvements in bonding processes and development of comparatively new techniques are desirable. Test methods require further development and standardization - especially nondestructive methods. Continuing work in collecting and reporting pertinent information, especially on properties and design parameters for adhesive bonding is helping to advance the utilization of adhesives. Current trends indicate that adhesives are progressing from the realm of “art” to science, a factor which should substantially aid in advancing the future potential for adhesives.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/app.1962.070062013
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