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  • Polymer and Materials Science  (9)
  • Organic Chemistry  (3)
  • Atomic, Molecular and Optical Physics  (2)
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  • 1
    Digitale Medien
    Digitale Medien
    Quantum fluid dynamics of many-electron systems in three-dimensional space (1982)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 22 (1982), S. 871-888 
    Details
    ISSN: 0020-7608
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: In presence of external electric and magnetic fields, the Schrödinger equation for many-electron systems is transformed into a continuity equation and an Euler-type equation of motion in configuration space. Then, using the natural-orbital Hamiltonian, as defined by Adams, the two fluid-dynamical equations are derived in the three-dimensional space. This generates a “classical” view of such quantum systems, corresponding to an MCSCF wave function: The many-electron Schrödinger fluid consists of individual fluid components, each corresponding to a natural orbital and having its own charge density and current density. The local observables, viz., the net charge density and net current density, are obtained by merely summing over the natural orbitals, with the occupation numbers as weight factors; but, the net velocity field cannot be so obtained. Further, although each fluid component moves irrotationally in the absence of a magnetic field, the net velocity field is not irrotaional. The irrotational character of each velocity component is destroyed by rotation of the nuclear framework of the system while electron spin introduces an additional term, the spin magnetization moment, into each component current density. The physical significance of the fluid-dynamical equations as well as their advantages and disadvantages are discussed.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/qua.560220503
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  • 2
    Digitale Medien
    Digitale Medien
    New method for the direct calculation of electron density in many-electron systems. I. Application to closed-shell atoms (1983)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 23 (1983), S. 1-26 
    Details
    ISSN: 0020-7608
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A new density-functional equation is suggested for the direct calculation of electron density ρ(r) in many-electron systems. This employs a kinetic energy functional T2 + f(r)T0, where T2 is the original Weizsäcker correction, T0 is the Thomas-Fermi term, and f(r) is a correction factor that depends on both r and the number of electrons N. Using the Hartree-Fock relation between the kinetic and the exchange energy density, and a nonlocal approximation to the latter, the kinetic energy-density functional is written (in a.u.) \documentclass{article}\pagestyle{empty}\begin{document}$$ t[\rho] = {\raise0.7ex\hbox{$1$} \!\mathord{\left/ {\vphantom {1 4}}\right.\kern-\nulldelimiterspace}\!\lower0.7ex\hbox{$4$}}\nabla ^2 \rho + {\raise0.7ex\hbox{$1$} \!\mathord{\left/ {\vphantom {1 8}}\right.\kern-\nulldelimiterspace}\!\lower0.7ex\hbox{$8$}}(\nabla \rho \cdot \nabla \rho)/\rho + C_k f({\bf r})\rho ^{5/3}, $$\end{document} where \documentclass{article}\pagestyle{empty}\begin{document}$ C_k = {\raise0.7ex\hbox{$2$} \!\mathord{\left/ {\vphantom {2 {10}}}\right.\kern-\nulldelimiterspace}\!\lower0.7ex\hbox{${10}$}}(3\pi ^2)^{2/3} $\end{document}. Incorporating the above expression in the total energy density functional and minimizing the latter subject to N representability conditions for ρ(r) result in an Euler-Lagrange nonlinear second-order differential equation \documentclass{article}\pagestyle{empty}\begin{document}$$ \left[{ - {\raise0.7ex\hbox{$1$} \!\mathord{\left/ {\vphantom {1 2}}\right.\kern-\nulldelimiterspace}\!\lower0.7ex\hbox{$2$}}\nabla ^2 + v_{{\rm nuc}} ({\bf r}) + v_{{\rm cou}} ({\bf r}) + v_{XC} ({\bf r}) + {\raise0.7ex\hbox{$5$} \!\mathord{\left/ {\vphantom {5 3}}\right.\kern-\nulldelimiterspace}\!\lower0.7ex\hbox{$3$}}C_k g({\bf r})\rho ^{2/3}} \right]\phi ({\bf r}) = \mu \phi ({\bf r}) $$\end{document} where μ is the chemical potential, we have ρ(r) = |φ(r)|2, and g(r) is related to f(r). Numerical solutions of the above equation for Ne, Ar, Kr, and Xe, by modeling f(r) and g(r) as simple sums over Gaussians, show excellent agreement with the corresponding Hartree-Fock ground-state densities and energies, indicating that this is likely to be a promising method for calculating fairly accurate electron densities in atoms and molecules.
    Zusätzliches Material: 12 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/qua.560230104
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  • 3
    Digitale Medien
    Digitale Medien
    Kinetics and mechanism of the reaction between trivalent manganese and carboxylic acids in aqueous solution. I. Reduction of trivalent manganese by tartrate (1965)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 28 (1965), S. 108-112 
    Details
    ISSN: 0021-8383
    Schlagwort(e): Chemistry ; Organic Chemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The kinetics of the reduction of trivalent manganese by tartrate in aqueous solution has been studied. The reaction is catalysed by H+-ions and retarted by the presence of Mn2+. Increase in the concentration of tartrate lowers the rate of reduction of manganese (III). The temperature coefficient of the reaction which is first order, is 3.97 between 30° and 40°.
    Zusätzliches Material: 5 Tab.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/prac.19650280112
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  • 4
    Digitale Medien
    Digitale Medien
    Kinetics of the Reaction between Citrate and Aqueous Iodine in presence of Mn(III) (1965)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 30 (1965), S. 1-5 
    Details
    ISSN: 0021-8383
    Schlagwort(e): Chemistry ; Organic Chemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The reaction between citrate and aqueous iodine is accelerated by the presence of tripositive managanese. The reaction is first order with respect to iodine and increase in concentration of Citrate suppresses the rate of reaction. Increase in the concentration of Mn(III) enhances the reaction rate. pH has a marked influence on the rate of reaction, the reaction being fastest at pH 4.25. The temperature coefficient is of the order of 3. The manganous ions lower the rate of reaction at pH higher than 3.30 while no such effect is noted below this pH. A suitable mechanism has been suggested.
    Zusätzliches Material: 1 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/prac.19650300101
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  • 5
    Digitale Medien
    Digitale Medien
    Study of polymer-polymer complex formation involving phenolic copolymer, non-ionic polymers, and polyelectrolytes (1991)
    Weinheim : Wiley-Blackwell
    Angewandte Makromolekulare Chemie 184 (1991), S. 99-110 
    Details
    ISSN: 0003-3146
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Physik
    Beschreibung / Inhaltsverzeichnis: Aus einem phenolischen Copolymeren bekannter Zusammensetzung und verschiedenen nicht ionischen Homopolymeren (PVP, PEO, PVA) sowie Polyelektrolyten wie PAA und PEI wurden in Lösung Mehrkomponenten-Interpolymerkomplexe hergestellt. Die Bildung dieser Komplexe wurde mit verschiedenen Methoden, wie Viskosimetrie, Potentiometrie, Konduktometrie und IR-Spektroskopie untersucht. Es wird ein Schema zur Erklärung der Art der Wechselwirkung zwischen den verschiedenen Polymerkomponenten vorgeschlagen.
    Notizen: Multicomponent interpolymer complexes have been prepared by interacting a phenolic copolymer of known composition with several non-ionic homopolymers, e.g., PVP, PEO, PVA and polyelectrolytes, such as PAA and PEI. The formation of these complexes has been studied by several techniques, such as viscometry, potentiometry, conductometry, and IR spectra. A scheme has been presented to explain the mode of interaction of the various component polymers.
    Zusätzliches Material: 4 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/apmc.1991.051840109
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  • 6
    Digitale Medien
    Digitale Medien
    Study of three and four component intermacromolecular complexes involving acrylic copolymers, metal ions, and non-ionic polymers (1992)
    Weinheim : Wiley-Blackwell
    Angewandte Makromolekulare Chemie 200 (1992), S. 1-13 
    Details
    ISSN: 0003-3146
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Physik
    Beschreibung / Inhaltsverzeichnis: Poly(methacrylsäure-co-methacrylamid) und Poly(acrylsäure-co-acrylamid) wurden hergestellt und mit bekannten Methoden charakterisiert. Die jeweiligen Comonomereinheiten der beiden Copolymeren können durch Wasserstoffbrückenbindung und Ion-Dipol-Wechselwirkungen Komplexe bilden. Die nicht-komplexierten Einheiten der Intercopolymerkomplexe können noch entweder mit anderen Homopolymeren wie Poly(N-vinylpyrrolidon) oder Poly(oxyethylen) wechselwirken oder mit Übergangsmetallionen drei- und vierkomponentige Komplexe bilden. Die Bildung solcher Komplexe wurde mittels Viskosimetrie, Konduktometrie, Potentiometrie und IR- und UV-Spektroskopie untersucht.
    Notizen: Poly(methacrylic acid-co-methacrylamide) and poly(acrylic acid-co-acrylamide) have been synthesized and characterized by known methods. The respective comonomer units of the two copolymers enter into complex formation through hydrogen bonding and ion-dipole interactions. The unreacted units in the intercopolymer complex also interact with homopolymers such as poly(N-vinylpyrrolidone) and poly(oxyethylene) as well as transition metal ions to form three and four component intermacromolecular complexes. Formation of these complexes could be shown through several experimental techniques, e.g. viscometry, conductometry, potentiometry, IR and UV spectrophotometry.
    Zusätzliches Material: 8 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/apmc.1992.052000101
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  • 7
    Digitale Medien
    Digitale Medien
    Microporous clay membrance materials for reverse osmosis applications. I. Performance characteristics from osmotic studies (1989)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 37 (1989), S. 1125-1136 
    Details
    ISSN: 0021-8995
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Maschinenbau , Physik
    Notizen: Fired clay membranes were prepared from montmorillonite clay and also by incorporating protein (lysozyme) and nylon (copolymer of 6-amino caproic acid) to clay followed by firing these membranes at different temperatures for different durations of time. Osmotic behaviors of the membranes were studied, and the results were correlated to the porosity determined by scanning electron microscope. Reverse osmosis parameters, namely, the reflection coefficient, solute permeability, and rejection coefficient, of the membranes were determined from osmosis experiments. Rejection coefficients as determined from reverse osmosis were compared with those obtained from osmosis experiments.
    Zusätzliches Material: 6 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/app.1989.070370422
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  • 8
    Digitale Medien
    Digitale Medien
    Polyaniline/Polymeric acid composite, a novel conducting rubber (1990)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 40 (1990), S. 1049-1052 
    Details
    ISSN: 0021-8995
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Maschinenbau , Physik
    Zusätzliches Material: 2 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/app.1990.070400536
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  • 9
    Digitale Medien
    Digitale Medien
    Vapor sorption characteristics of condensable hydrocarbon vapor in low-density polyethylene (1982)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 27 (1982), S. 331-339 
    Details
    ISSN: 0021-8995
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Maschinenbau , Physik
    Notizen: Sorption characteristics of vapors of pure hydrocarbon and their binary mixtures in low-density polyethylene were studied under various conditions of temperature and pressure. A new apparatus devised and utilized for the determination of composition of sorbed vapor in case of binary mixtures is described. The study demonstrates the effect of the presence of one component within the polymer on the sorption of another and also the occurrence of selectivity in sorption.
    Zusätzliches Material: 6 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/app.1982.070270201
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  • 10
    Digitale Medien
    Digitale Medien
    Piezoelectric response of scleral collagen (1998)
    Hoboken, NJ : Wiley-Blackwell
    Journal of Biomedical Materials Research 39 (1998), S. 453-457 
    Details
    ISSN: 0021-9304
    Schlagwort(e): sclera ; collagen ; piezoelectricity ; dehydration ; sample orientation ; Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Medizin , Technik allgemein
    Notizen: The piezoelectric coefficients (d31) for a number of bovine and human scleral collagen samples were determined as a function of drying time at room temperature. The measured values of d31 decreased with drying time. There were significant differences in the values of the d-coefficient between the human and bovine eyes as well as in the values obtained from different regions of the eye. © 1998 John Wiley & Sons, Inc. J Biomed Mater Res, 39, 453-457, 1998.
    Zusätzliches Material: 6 Ill.
    Materialart: Digitale Medien
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