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  • 1
    Electronic Resource
    Electronic Resource
    Kinetics of radical polymerization, LIII. The absolute rate constants in the radical polymerization of ethyl acrylateDedicated to Prof. Dr. D. Braun on the occasion on his 60th birthday (1991)
    Weinheim : Wiley-Blackwell
    Angewandte Makromolekulare Chemie 185 (1991), S. 303-310 
    Details
    ISSN: 0003-3146
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The dependence of dilution on the chain propagation and termination rate constants was investigated in the polymerization of ethyl acrylate in benzene solution at 50°C, with the rotating sector method. The errors of the above rate constants were determined and, by our method applied to decrease these errors, the errors of the propagation rate constant was reduced to its half value. By the application of our earlier results in polymerization kinetics, we found that in this system the chain propagation step is exclusively responsible for the solvent effects observed. Our experimental results can be quantitatively described in terms of the hot redical theory.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/apmc.1991.051850129
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  • 2
    Electronic Resource
    Electronic Resource
    Kinetics of radical polymerization, 55.Part 54: cf.1. The polymerization of p-methylstyrene in solutionDedicated to Dr. Milan Lazár on the occasion of his 65th birthday (1993)
    New York : Wiley-Blackwell
    Die Makromolekulare Chemie 194 (1993), S. 3357-3368 
    Details
    ISSN: 0025-116X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Radical polymerization of p-methylstyrene was studied in benzene solution at 50°C using AIBN as the initiator. The rate of inititation was determined at various dilutions; it shows a slight linear dependence on the composition of the polymerization mixture. The polymerization rate is directly proportional to the square root of initiator concentration; however, in contrast to the classical kinetic picture, it is not directly proportional to the monomer concentration. The experimentally measured solvent effect can be interpreted neither by the diffusion theory nor by the EDA theory, it is, however, quantitatively consistent with the theory of hot radicals. The so-called absolute values of the rate constants of chain propagation (k̄2) and chain termination (k4) were determined by means of the rotating sector method. The value of k4 was found to be constant within the limits of experimental error, consequently the experimentally observed solvent effect is caused solely by the change in the chain propagation rate constant.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/macp.1993.021941214
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  • 3
    Electronic Resource
    Electronic Resource
    Absorption and scattering of thermal radiation by a cloud of small particles (1970)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 16 (1970), S. 286-292 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: An experimental investigation was made of the absorption and scattering of thermal radiation by a cloud of small, spherical, micronsized, aluminum oxide particles in a plane-parallel enclosure. By using carbon tetrachloride and carbon disulphide as suspendign media, transmission measurements were made with collimated and diffuse sources for wavelengths from 2 to 11μ. By employing a two-flux diffuse model, the data were correlated to obtain absorption and back-scattering cross sections. From the diffuse and collimated data, a backscattering coefficient was found which varied linearly with relative refractive index. With the developed coefficients, the absorptivities of the cloud of particles were determined.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690160223
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  • 4
    Electronic Resource
    Electronic Resource
    Self-consistent Thomas-Fermi-Dirac theory, extended by Gell-Mann and Brueckner correlation, in terms of density n and its two reduced gradients ∇2n/n and ∇n/n (1998)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 69 (1998), S. 145-149 
    Details
    ISSN: 0020-7608
    Keywords: density functional theory ; reduced density gradients ; self-consistent density equation ; generalized Thomas-Fermi approximation ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We prove the following results, relevant for the density functional theory: the Thomas-Fermi-Dirac theory, generalized to include the contribution due to the high electron density result of Gell-Mann and Brueckner for the correlation energy, is shown to lead to a differential equation for the self-consistent ground-state density n(r) in atoms and molecules in the form F(n, {∇n/n}2, ∇2n/n)=1, where the function F is given explicitly. A straightforward extension yields a similar result for the equation determining the Pauli plus exchange-correlation potential and for the divergence of the many-electron force.   © 1998 John Wiley & Sons, Inc. Int J Quant Chem 69: 145-149, 1998
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Excited states in density functional theory (1998)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 70 (1998), S. 681-691 
    Details
    ISSN: 0020-7608
    Keywords: excited states ; Kato's theorem ; adiabatic connection ; optimized potential method ; KLI approximation ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Density functional theory for a single excited state is presented using Kato's theorem and the concept of adiabatic connection. The degenerate case is also detailed. The optimized potential method is generalized. The generalized Krieger, Li, and Iafrate (KLI) approximation is derived.   © 1998 John Wiley & Sons, Inc. Int J Quant Chem 70: 681-691, 1998
    Additional Material: 2 Tab.
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  • 6
    Electronic Resource
    Electronic Resource
    Optimized potential method for ensembles of excited states (1998)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 69 (1998), S. 247-254 
    Details
    ISSN: 0020-7608
    Keywords: Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The optimized potential method is derived for ensembles of excited states. The ensemble Hartree-Fock method is introduced and ensemble Hartree-Fock equations are derived. By posing the ensemble Hartree-Fock method as an ensemble density functional one, an ensemble exchange potential is derived. By approximating the ensemble Hartree-Fock orbitals with the ensemble Kohn-Sham ones, the generalized version of the Krieger-Li-Iafrate (KLI) approximation to the optimized effective potential (OPM) method is obtained.   © 1998 John Wiley & Sons, Inc. Int J Quant Chem 69: 247-254, 1998
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
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