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  • 1
    Electronic Resource
    Electronic Resource
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 62 (1996), S. 1313-1323 
    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: The polymerization of butyl methacrylate in three-component microemulsions prepared with the cationic surfactant dodecyltrimethlammonium bromide is reported here as a function of monomer and surfactant content in parent microemulsions, type and concentration of initiator, and temperature. Fast reaction rates and high conversions are achieved in all cases. Final latexes are bluish-opaque and stable, and contain spherical particles with diameters in the range of 20 to 30 nm, depending on composition of the parent microemulsions and reaction conditions. Each of these particles is composed of a few macromolecules of high molecular weight (2 to 4 × 106 Dalton). Both particle size and average molecular weight remain constant throughout the reaction, suggesting a continuous nucleation mechanism. Analysis of the molecular weight distribution indicates that the controlling termination mechanism is chain-transfer to monomer. © 1996 John Wiley & Sons, Inc.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 19 (1998), S. 1284-1293 
    ISSN: 0192-8651
    Keywords: reference program ; molecular calculations ; Slater-type orbitals ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: A program for computing all the integrals appearing in molecular calculation with Slater-type orbitals is reported. The program is mainly intended as a reference for testing and comparing other algorithms and techniques. An analysis of the performance of the program is presented, paying special attention to the computational cost and the accuracy of the results. Results are also compared with others obtained with Gaussian basis sets of similar quality.   © 1998 John Wiley & Sons, Inc.   J Comput Chem 19: 1284-1293, 1998
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 19 (1998), S. 1826-1833 
    ISSN: 0192-8651
    Keywords: quantum-chemical computations ; β-lactams ; ester enolate-imine condensation ; solvent effect ; stepwise process ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: The condensation reaction of the enolate of methyl acetate with formaldimine to afford a β-lactam was studied using the MP2-FC/6-31+G* level of theory taking into account the electrostatic effect of the solvent by means of a self-consistent reaction field continuum model. The reaction is a stepwise process with three main steps: the formation of the C3(SINGLE BOND)C4 bond, the closure of the β-lactam ring, and the elimination of the methoxide ion. The formation of the C3(SINGLE BOND)C4 bond is rate determining and according to our calculations is not a reversible step.   © 1998 John Wiley & Sons, Inc.   J Comput Chem 19: 1826-1833, 1998
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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