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  • Organic Chemistry  (8)
  • Computational Chemistry and Molecular Modeling  (5)
  • Physics  (5)
  • 1
    Electronic Resource
    Electronic Resource
    New York : Wiley-Blackwell
    Journal of Polymer Science Part A-2: Polymer Physics 8 (1970), S. 817-832 
    ISSN: 0449-2978
    Keywords: Physics ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The surface potentials of monolayers of poly(methacrylic acid) (PMA) have been studied as a function of the pH of the subsolution. The influence of the macromolecular configuration on the properties of the ionizable groups was more particularly investigated. Orientation of molecules in the monolayer may be imposed by the stereoregularity of PMA (isotactic, atactic) and by the nature of the interface (air-water, cyclohexane-water). The results are analyzed in terms of theories of the ionic double layer (Gouy model, Donnan equilibrium) which permit the determination of the degree of ionization α of the film. The value of α gives indications about the orientation of specific groups of the macromolecular chain, i.e., of the ionized monomer units. Indeed, at the air-water interface, the film of isotactic PMA is more acid than that of the atactic sample, and at the cyclohexane-water interface, the degree of ionization is greater than at the air-water interface. These properties are the consequence of a modification of orientation of the hydrophilic groups with respect to the aqueous phase as a function of the stereoregularity of the sample and the nature of the interface. The variation of α with the pH of the substrate phase may be used to calculate an intrinsic dissociation constant Ks° of the molecules in the film. The value of Ks° is not modified by spreading conditions and remains very similar to that obtained in solution.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    New York : Wiley-Blackwell
    Journal of Polymer Science Part A-2: Polymer Physics 4 (1966), S. 765-775 
    ISSN: 0449-2978
    Keywords: Physics ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The behavior of films of polyelectrolytes at the water-organic liquid interface depends on the nature of the interface and the pH of the substratum. The present paper investigates the influence of these two factors on the cohesive forces between monomer units. Two polyelectrolytes were studied: poly(methacrylic acid) (APM) and poly-2-vinylpyridine (2-PVP). In the case of uncharged films, the collapse pressure decreases when the polarity of the organic phase becomes more important, whereas the term ω/kT, which appears in the theory of Motomura and Matuura, increases. A quantitative relation between the parameter ω/kT and the collapse pressure may be deduced. The behavior of the ionized surface film at different pH values is modified by the choice of the interface. However, there exists a competition between two phenomena: the dissolution of ionized residues in the substratum and the electrostatic repulsion between charges in the surface plane. Depending upon whether the first or the second parameter is more important, we observed that the surface pressure decreased or increased with the degree of ionization.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    New York : Wiley-Blackwell
    Journal of Polymer Science Part A-2: Polymer Physics 6 (1968), S. 825-831 
    ISSN: 0449-2978
    Keywords: Physics ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Extended chain crystals of polyoxymethylene were irradiated with x-rays of about 105 r./min. An immediate decrease in superheating on melting was noted. After 90 min. of irradiation the melting point level, refractive indices, and density also decreased. After 480 min. the DTA melting peak at a heating rate of 20°C./min. had decreased 25°C., the melting point decreased about 18°C., and the density calculated from refractive indices decreased 0.031 g./cm.-3. These effects are interpreted as indication of chain scission and formation of amorphous defects.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 52 (1994), S. 515-525 
    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: The relationship between surface rainbows and the onset of classical chaos in atom-surface scattering is discussed. The principal focus is the onset of chaos as a function of experimentally controllable parameters. The correspondence between the classical trapping and quantum mechanical selective adsorption resonances is briefly discussed. The connection with the more mathematical work of Grebogi and co-workers is also considered. © 1994 John Wiley & Sons, Inc.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 59 (1853), S. 238-241 
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 93 (1864), S. 228-229 
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 104 (1868), S. 401-406 
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 8
    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
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  • 9
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 23 (1983), S. 875-886 
    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: The valence-shell vertical ionization potentials of Cl2 were calculated by perturbation corrections to the Koopmans theorem using a traditional effective core potential based on a Phillips-Kleinman derivation and an improved effective core potential obtained by Christiansen, Lee, and Pitzer. Comparison of the results with an all-electron calculation demonstrated the reliability of the Christiansen-Lee-Pitzer effective core potential, which was then used to compute the vertical ionization potentials of ClN3 and ClNCO. The results shed new light in the interpretation of the photoelectron spectra of these molecules.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 29 (1986), S. 563-578 
    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 important class of polymers is comprised, in part, of 1,4-disubstituted phenylene groups. It is widely believed that large amplitude phenylene torsional motions play a critical role in determining such physical properties as the toughness and degree of crystallinity of these polymers. We have studied what is perhaps the simplest polymer in this class, polyphenylene oxide (PPO), using ab initio quantum chemistry methods to determine the conformational properties, torsional potential energy functions, and vibrational frequencies. From our calculations on dimer (diphenyl ether) and trimer (para-diphenoxy benzene) fragments emerges a qualitative description of the mechanism of phenylene rotation in the polymeric material.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
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