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  • Organic Chemistry  (31)
  • Physics  (4)
  • Computational Chemistry and Molecular Modeling  (3)
  • Wiley-Blackwell  (38)
  • American Chemical Society
  • Macmillian Magazines Ltd.
  • 1970-1974  (26)
  • 1940-1944  (12)
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  • Wiley-Blackwell  (38)
  • American Chemical Society
  • Macmillian Magazines Ltd.
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  • 1
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 7 (1973), S. 133-134 
    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
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 6 (1972), S. 859-880 
    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 outline is given of a semi-empirical scheme for molecular-orbital calculations on transition-metal complexes according to a revised INDO procedure. To judge the reliability of the results of the calculations, the charge-transfer transitions of a number of complexes have been calculated and compared with experimental data. Both for the excitation energies and for the oscillator strengths the agreement is very satisfactory. With respect to the sequence of occupied metal and ligand orbitals it was found that for closed-shell d6 and d8 systems the molecular orbitals which are mainly composed of metal d orbitals have a lower energy than the orbitals built up from ligand p orbitals. Calculations by the extended Hückel method and other similar schemes give the d orbitals as the highest occupied ones as a result of a bad approximation of the diagonal elements of the Fock matrix. The consequences for the interpretation of photo-electron spectra of transition-metal complexes are discussed.
    Additional Material: 3 Ill.
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  • 3
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 8 (1974), S. 179-191 
    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: A method is given for obtaining the common molecular integrals over generalized gaussian functions: \documentclass{article}\pagestyle{empty}\begin{document}$$ \chi_i = x^{\lambda_i}_i \exp \big\{ - \big(\alpha_i x^2_i + \alpha^{\prime}_i x^{\prime 2}_i + \alpha^{\prime\prime}_i x^{\prime\prime 2}_i\big)\big\} $$\end{document}The present algorithms are expected to be more efficient than those given in earlier work by the same author.
    Type of Medium: Electronic Resource
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  • 4
    ISSN: 0449-2978
    Keywords: Physics ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Sedimentation equilibrium in the ultracentrifuge means that there is such a distribution of molecular species throughout the cell, that the centrifugal forces are balanced by differences in the activities. This provides a method for determination of the activities and the chemical potentials in polymer solutions which, in principle, is very simple and reliable. A complication is caused by polydispersity of the dissolved polymer. If one assumes that the interaction parameter depends on concentration and temperature, but not on molecular weight, it is possible to determine the chemical potential of polymer and solvent from the ultracentrifugal data. Experiments have been carried out on the systems polystyrene-toluene and polystyrene-cyclohexane at different temperatures and in the concentration range 0-80 wt-%. The results are expressed in the data for the chemical potential of the solvent, the number average chemical potential of the polymer and the interaction parameter χ.
    Additional Material: 14 Ill.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    New York : Wiley-Blackwell
    Journal of Polymer Science Part A-2: Polymer Physics 9 (1971), S. 1553-1577 
    ISSN: 0449-2978
    Keywords: Physics ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: As is well known, the chemical potentials of polymer and solvent in solution and, hence, the Flory-Huggins interaction parameter χ can be determined from scattered light intensities from dilute and concentrated solutions of the polymer in the solvent concerned. Preferably, measurements should be performed at temperatures as low as possible, provided the temperature exceeds the cloudpoint for the concentration used. It is shown that the lower the temperature and, consequently the higher the scattered light intensity, the better is the accuracy of the parameters obtained. At each temperature the scattered light intensity shows a maximum at some concentration. Below the theta temperature the ratio of scattered light intensity and concentrations also shows a maximum at some concentration. The values and the concentrations of these maxima for various temperatures enable the maximum of the spinodal to be determined. The spinodal itself can be determined by an extrapolation procedure of the reciprocal scattered light intensities. Measurements have been performed with three narrow-distribution polystyrene samples in cyclohexane. On the basis of the results, χ, and its dependence on concentration, temperature, and molecular weight can be determined to high accuracy.
    Additional Material: 13 Ill.
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  • 6
    Electronic Resource
    Electronic Resource
    New York : Wiley-Blackwell
    Journal of Polymer Science Part A-2: Polymer Physics 10 (1972), S. 519-526 
    ISSN: 0449-2978
    Keywords: Physics ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Starting from the Lorentz-Lorenz equation, Heller, a few years ago, advanced a method for calculating the partial specific volume of a substance in a dilute solution from the refractive index increment of the solution and the specific refraction of the solute. It is shown that this method, based on graphical extrapolation, can be considerably simplified. Further, a method is indicated by which the partial specific volume of a substance over the whole range of concentrations can be calculated in an analogous manner. The method is checked and elucidated with reference to some experimental examples.
    Additional Material: 1 Tab.
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  • 7
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Helvetica Chimica Acta 53 (1970), S. 1511-1525 
    ISSN: 0018-019X
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Several mono-, di-, and tri-hydroxy derivatives of cyclopentane and cyclopentene have been studied by NMR. spectroscopy. The chemical shifts and the coupling constants of the OH groups have been correlated with their position, with their configuration and, in some cases, with their conformation.
    Additional Material: 3 Ill.
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  • 8
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Helvetica Chimica Acta 54 (1971), S. 1361-1369 
    ISSN: 0018-019X
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The interaction between Cu2+ and the terdentate ligands N-picolinoyl-ethylenediamine, glycine-2-pyridylmethylamide, Nα-(2-pyridylmethyl)-glycinamide and Nα-(2-pyridylmethyl)-glycine-ethylamide, respectively, has been studied by spectrophotometry and potentiometry. At high pH values the ionised amide group undergoes complex formation and the resulting chelates have similar structures and stabilities. In slightly acidic solution however, each ligand gives rise to a different species. These facts are explained by assuming that the neutral amide group coordinates through its carbonyl oxygen atom. The stability constant and the absorption spectrum of each complex have been calculated by computer programmes.
    Additional Material: 4 Ill.
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  • 9
    ISSN: 0018-019X
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The complex formation between CuII and the title compound (tet a) is studied by spectrophotometry and pH-stat techniques. Between pH 4 and 5,5 the reaction proceeds in two steps, the first giving a blue intermediate, Cu(teta)2+ (blue), exhibiting a broad absorption band at 620 nm. Titration with NaOH and the absorption spectrum suggest that, in the intermediate, CuII is coordinated to only two amino groups of the ligand. Both steps are slow compared to other complex formation reactions of CuII. The rate of the first step, in which Cu(tet a)2+ (blue) is formed, is given by v1 = k1 · [Cu2+] [(tet a) H2+2]/[H+] with k1 = 2,7 · 10-6 s-1 at 40° and I = 0,1. In the second step the last two nitrogens of the quadridentate ligand are bound to CuII, giving the mauve end product. The rate of this step is given by v2 = k2 · [Cu(tet a)OH+ (blue)] [OH-] with k2 = 1,2 · 103 M-1 s-1 at 50° and I = 0,5.
    Additional Material: 3 Ill.
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  • 10
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Helvetica Chimica Acta 56 (1973), S. 519-524 
    ISSN: 0018-019X
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The synthesis of a new (-)-Δ8-6a,10a-trans-tetrahydrocannabinol analogue, containing a N-methyl-3-propyl-pyrrolidin-3-yl side-chain, is reported.
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