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    Article

    The application of miscibility parameter to the measurement of polymer-plasticizer compatibility

    Poly(vinyl butyral) (PVB)was found to precipitate from a clear plasticizer solution as it was cooled and this unique temperature (TP) (UCST) was noted. Poly(vinyl chloride) (PVC) did not precipitate and in this c...

    D. J. David, N. A. Rotstein, T. F. Sincock in Polymer Bulletin (1994)

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    Article

    Détermination de bases de Gaussiennes optimales pour les molécules

    An atomic (6s 3p) basis has been determined for carbon, yielding, for the atom, the same energy as Whitman-Hornback's (6s 3p) basis, but leading to a much better energy for the methane molecule, and making contra...

    D. -J. David in Theoretica chimica acta (1971)

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    Article

    Performance of a new differential scanning calorimeter cell

    A calorimeter cell has been developed utilizing a geometry which optimizes dynamicgas flow and quantitative heat transfer to each sensing thermocouple. The basis of the cell is a sensitive thin form differenti...

    D. J. David in Journal of thermal analysis (1971)

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    Article

    Determination de bases de gaussiennes optimales pour les molecules

    Bases composed of one fixed linear combination ofn = 2 and 3 Gaussian functions have been investigated for the hydrogen molecule. It is shown that the scaling factor applied to Huzinaga's free atom exponents,whic...

    D. -J. David in Theoretica chimica acta (1970)

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    Article

    Determination de bases de gaussiennes optimales pour les molécules

    Bases of n=1, 2, 3, 4, 5 Gaussian functions, whose exponents minimize the SCF total energy, have been determined for the hydrogen molecule. It is shown that a convenient process is found by applying a scaling fac...

    D. -J. David, B. Mely in Theoretica chimica acta (1970)

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    Article

    Calculs non empiriques sur une réaction SN2 typique

    The electronic structure of the initial and transition states of the substitution reaction F−+CH3F →FCH3+F− have been calculated by the SCF molecular orbital method in the Gaussian approximation. It is found that...

    G. Berthier, D. -J. David, A. Veillard in Theoretica chimica acta (1969)