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  • 1965-1969  (3,442)
  • 1930-1934  (2,050)
  • Organic Chemistry  (5,179)
  • Atomic, Molecular and Optical Physics  (246)
  • Computational Chemistry and Molecular Modeling  (246)
  • Bone  (35)
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  • 101
    Electronic Resource
    Electronic Resource
    The calculation of matrix elements for valence bond functionsThis work has been supported in part by grants from the National Science Foundation and the AF Office of Scientific Research to Indiana University. (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 523-534 
    Details
    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: Pauling's formulas for the calculation of matrix elements for valence bond functions are derived using a simple substitutional process. The results generalize and simplify the formulas. In particular, the formulas do not depend upon orthogonality of atomic orbitals nor upon the nature of the choice of bond structures (canonical or not). The results are particularly adaptable to automatic computation.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560030411
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  • 102
    Electronic Resource
    Electronic Resource
    Théorie quantique du pouvoir rotatoire magnétique des molécules diamagnétiques. II. Applications (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 593-610 
    Details
    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: The general formalism of the variational theory of the Faraday effect established in the first part of this paper is now applied to the actual computation of the Verdet constant of the hydrogen molecule, of water and of some saturated hydrocarbons. The numerical results have a correct order of magnitude and even, for hydrogen, are rather close to the experimental value.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560030507
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  • 103
    Electronic Resource
    Electronic Resource
    Expansion of r12 and r12-1 in terms of analytical functionsWork was performed at the Ames Laboratory of the U.S. Atomic Energy Commission. Contribution No. 1932. (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 493-501 
    Details
    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: Expansions in terms of the spherical coordinates of two particles are given for the interparticle distance and its inverse. The expansions are characterized in that each term is a product of analytical one-variable functions. While it is possible to find acceptable expansions for r12, those obtained for r12-1 exhibit extremely slow convergence, unacceptable for practical use. The same objections must be raised against related expansions of multi-centered molecular integrals.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560030408
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  • 104
    Electronic Resource
    Electronic Resource
    Masthead (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969) 
    Details
    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
    URL: http://dx.doi.org/10.1002/qua.560030501
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  • 105
    Electronic Resource
    Electronic Resource
    Bounds for eigenfunctions of one-electron molecular systemsThis work has been supported in part by the NATO Research Grants Program under the number SA5-2-05(170)1757PS and in part by the Aerospace Research Laboratories, Office of Aerospace Research, United States Air Force, Contract numbers AS-7-283 and AS-8-0001. (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 581-586 
    Details
    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: This article gives pointwise bounds for the wave functions of one-electron molecular systems.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560030505
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  • 106
    Electronic Resource
    Electronic Resource
    Wellenmechanische absolutrechnung am HeHHe+ (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 115-121 
    Details
    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: The wave function of the HeHHe+ molecule has been calculated by means of the GENERAL SCF-MO-LC(LCGO) PROGRAM SYSTEM, taking all four electrons into account. The calculations were carried out for a number of linear equidistant, linear non-equidistant, and bent nuclear arrangements. The minimum energy of -5.7930 a.u. was found for a linear equidistant configuration with a He—H distance of 0.939 Å. The corresponding ionization energy was 37.9 eV. An estimation of the energy of formation of HeHHe+ from HeH+ and He based on SCF-calculations on HeH+ and He gave 7.9 kcal/mole. The frequencies of the normal vibrations were calculated.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560030115
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  • 107
    Electronic Resource
    Electronic Resource
    Announcments (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 145-145 
    Details
    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
    URL: http://dx.doi.org/10.1002/qua.560030119
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  • 108
    Electronic Resource
    Electronic Resource
    On the least squares procedure for atomic calculations (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 169-184 
    Details
    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: We discuss the properties of one version of the least squares (LS) method for the solution of the Schrödinger equation. These properties are exemplified by a number of calculations on the n1S and n3S states of helium, up to principal quantum number three, which are very much more accurate than previous LS calculations on helium. Particular attention is paid to the convergence properties of the LS procedure and we compare it with the simpler Rayleigh-Ritz (RR) procedure in the case when the RR matrix elements are evaluated numerically over the same quadrature mesh as used in the LS procedure. We conclude that although the LS procedure is capable of high accuracy it has no advantages which would justify its sole use in place of the RR procedure. However, it does have some advantages when used in conjunction with RR, in that it gives an estimate of the numerical accuracy of the RR energies.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560030203
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  • 109
    Electronic Resource
    Electronic Resource
    Theory of biorbitals. Study of conjugated systems in their ground and excited electronic states (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 205-218 
    Details
    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: The biorbital theory called also “identical geminals theory” is applied to the study of a number of conjugated molecules. All basic integrals are determined by means of the Pariser-Parr-Pople procedure. The biorbital theory reproduces about 40 per cent of the correlation energy of the ground state of the molecule; this number is raised to about 70 per cent for the lowest triplet state. The low lying excited states are well represented from the point of view of transition energy as well as from the point of view of symmetry. The occupation number matrix and the charge-bond order matrix are defined and discussed. The overall chemical description of conjugated molecules produced by the biorbital theory is similar to that produced by other theories of electronic structure of molecules. It is concluded that the biorbital theory provides a description the quality of which is, roughly speaking, about half way between those provided by the SCF-MO and complete CI theories, respectively.
    Additional Material: 10 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560030206
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  • 110
    Electronic Resource
    Electronic Resource
    Applied group theory. Author: G. G. Hall. Published by: Longmans, Green and Co, London, 1967. Price: 25s. (paperback). No. of pages: 135 (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 246-247 
    Details
    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
    URL: http://dx.doi.org/10.1002/qua.560030212
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  • 111
    Electronic Resource
    Electronic Resource
    LCAO-MO studies on hydrogen bonding: The interaction between carbonyl and hydroxyl groups (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 851-871 
    Details
    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: Potential curves that show the energy dependence of hydrogen bonds between carbonyl and hydroxyl groups on the O—H bond length, on the distance between the molecules, and on the angle between the functional groups have been calculated with the CNDO/2 method. The results are presented for a small model system-formaldehyde/water - and for the dimer of formic acid. Good agreement is obtained with the available experimental data. The influence of the molecular geometry on the calculated results is discussed.
    Additional Material: 14 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560030608
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  • 112
    Electronic Resource
    Electronic Resource
    Wellenmechanische untersuchungen am 2-buten unter berücksichtigung aller elektronen (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 889-891 
    Details
    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: 2-butene has been investigated for different nuclear positions taking all 32 electrons into account, using the SCF-MO-LC(LCGO) method. The calculations show that the energy of the trans-form is 1.1 kcal/mol lower than that of the cis-form. The potential curve between these two forms is shown graphically. The ionization energy was estimated to be 9.0 eV.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560030611
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  • 113
    Electronic Resource
    Electronic Resource
    Fermi surfaces and electron-impurity interactions in simple metals (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 969-981 
    Details
    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 review is given of the current status of our work on electron transport properties and Fermi surfaces in simple metals. A simple classical model is proposed to extend existing theory to account for the effects of electron-impurity interactions on the behavior of magnetoacoustic absorption and the size and shape of the Fermi surface in the alkali metal potassium. The theoretical prediction is compared with measurements of the magnetoacoustic absorptionand Fermi surface diameters in potassium crystals of different impurity levels. An attempt is made to explain, on the basis of the theory of electron-impurity interactions, the decrease by 9% in the Fermi diameter and the departure by 53% in the phase factors of the impure potassium crystal. The results are compared with observations on a zone refined potassium crystal which satisfies the nearly-free-electron model.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560030617
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  • 114
    Electronic Resource
    Electronic Resource
    Long-range interactions in the ground and two excited states of the HeH+ molecule (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 945-968 
    Details
    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: The long-range interaction energies for different dissociation products of the HeH+ molecule have been calculated using the Rayleigh-Schrödinger perturbation theory up to the third order in the energy. The calculations were carried out for the ground state (He(ls2) + H+), the first excited state (H(ls) + He+(ls)) and the second excited state Π(H(2pπ) + He+(ls)). The unperturbed states correspond to the dissociation products denoted in parentheses. Assuming the overlap to be zero, expanding the interaction potential in the inverse powers of the internuclear distance R and using the familiarly known perturbation-variational technique, the coefficients of various powers of R-1 in the energy expansion were evaluated. They correspond to different multipole-multipole interactions. The potential energy curves of all three states under consideration were calculated for large values of R. Also calculated were the multipole polarizabilities of the hydrogen atom in the is and 2pπ states and of the helium atom in the ground state.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560030616
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  • 115
    Electronic Resource
    Electronic Resource
    Laplace transform wave functions (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 1027-1043 
    Details
    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: The wave function defining a quantum-mechanical system is considered as the Laplace transform of some distribution and the consequent form of the Variational Principle derived; an integral equation defines the eigenfunctions of a certain subclass. The model of the hydrogen-like atom is used to test the theory; the eigenfunctions and associated energy levels of the ground and excited states are obtained for arbitrary values of the orbital quantum number.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560030621
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  • 116
    Electronic Resource
    Electronic Resource
    Vibronic absorption spectrum of the ethylene dimer (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 569-580 
    Details
    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: Vibronic coupling theory is used to construct the vibronic absorption spectrum of the ethylene dimer. It is shown that in this case an extended four-parameter form of the vibronic Hamiltonian should be considered. In addition to the commonly used three vibronic parameters, the difference between the ground and excited state force constants of the monomer is taken into account.Numerical calculations were performed for the dimer geometry resembling that of norbornadiene. Some comments on the interpretation of the absorption spectrum of norbornadiene are made.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560030504
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  • 117
    Electronic Resource
    Electronic Resource
    Free-electron model for electronic spectra of benzene (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 611-619 
    Details
    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: Using a three dimensional free-electron model for the π-electron system the energies of the various singly and doubly excited configurations of benzene have been calculated. It has been found that the energies of the various singly excited configurations are in good agreement with the values obtained by Craig; whereas the energies of the doubly excited configurations are higher than those obtained by Craig. Therefore the configurational mixing for the doubly excited configurations is not necessary in this kind of model.
    Additional Material: 4 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560030508
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  • 118
    Electronic Resource
    Electronic Resource
    The hydrogen atom in a cubic field of electric dipoles (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 663-681 
    Details
    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: The full rotational symmetry of the hydrogen atom is lowered to that of the double group of Oh. This is done by a cubic field of electric dipoles. Symmetry-adapted spin orbitals have been calculated and with them the energies of the lowest states as functions of the distance from the dipoles to the atom, the dipole moment, and the size of the atoms forming the dipoles. The Hamiltonian used is obtained by starting with the Dirac equations and then making some simplifications and approximations.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560030512
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  • 119
    Electronic Resource
    Electronic Resource
    Many-Electron problems. II. Energy expansions and internal fields (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 723-730 
    Details
    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: Energy relations are derived for neutral atoms and isoelectronic sequences. It is shown that the field of the electrons at the position of the nucleus follows a very simple law and the diamagnetic shielding constant may be given in simple analytic form as a function of the atomic number.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560030516
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  • 120
    Electronic Resource
    Electronic Resource
    Valence configuration interaction calculations for atomic scattering (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 751-751 
    Details
    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
    URL: http://dx.doi.org/10.1002/qua.560030520
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  • 121
    Electronic Resource
    Electronic Resource
    On uncoupled approximation with approximate form of the Hartree-Fock operator (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 763-766 
    Details
    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: It is shown that the uncoupled approximation of Dalgarno with the approximate form of the Hartree-Fock operator gives no bound for the second order energy.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560030603
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  • 122
    Electronic Resource
    Electronic Resource
    The distribution of electronic charge in the ground state of cubic boron nitride (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 753-762 
    Details
    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: The distribution of electronic charge in cubic boron nitride is investigated using the bond orbital wave functions recently calculated by Coulson and Doggett. Plots of the one-electron density function, in the (110) plane, are found to be insensitive to the choice of atomic basis functions, in contradistinction to the previously calculated effective atomic charges. A number of structure amplitudes are also calculated for each of the bond orbital wave functions.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560030602
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  • 123
    Electronic Resource
    Electronic Resource
    Energy levels of paramagnetic ions: Algebra. II (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 795-822 
    Details
    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: The correspondence rules between the algebra of coupling coefficients of the special unitary group SU(2) and the associated algebra of a subgroup G of SU(2) are presented. The matrix elements of the irreducible representations of G are written in a convenient quantization scheme and different relations between these matrix elements and the Clebsch-Gordan coefficients of G are derived. Such a formalism is appropriate for numerous spectroscopic problems. As an example, it is applied to crystal field theory and electron paramagnetic resonance. General formulas from which a large number of results are rederived and generalized in a straightforward fashion are given. Numerical values of coupling coefficients for the tetragonal and cubic groups are listed in the Appendix.
    Additional Material: 8 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560030606
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  • 124
    Electronic Resource
    Electronic Resource
    Theory of two shells of atomic electrons using non-orthogonal radial orbitals (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 913-930 
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    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 theory for handling non-orthogonal radial orbitals of two shells of atomic electrons based on the mathematical apparatus of irreducible tensor operators is presented. The general expressions for one- and two-electron operator matrix elements are given.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560030614
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  • 125
    Electronic Resource
    Electronic Resource
    Nature of the chemisorption bond on semiconductor surfaces (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 249-267 
    Details
    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: Results obtained by various quantum-mechanical approaches in studying localized states on crystal surfaces are summarized and discussed. The one- and many-electron aspects of the problem are compared and shown to lead to similar results. Emphasis is laid upon localized chemisorption states on intrinsic semiconductors. The problem of the calculation of chemisorption heat on solid surfaces is also mentioned.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560030302
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  • 126
    Electronic Resource
    Electronic Resource
    Wellenmechanische behandlung der protonisierung des äthylens unter berücksichtigung aller elektronen (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 873-879 
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    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: The system C2H5+ has been investigated as ethyl cation and as protonated ethylene using the SCF-MO-LC(LCGO) method. Equilibrium distances and angles have been estimated by different potential curves. No difference in total energy was found between the π- and the σ-complex.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560030609
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  • 127
    Electronic Resource
    Electronic Resource
    The asymptotic Casimir-Polder potential from second-order perturbation theory and its generalization for anisotropic polarizabilities (1969)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 3 (1969), S. 903-911 
    Details
    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: It is shown how the leading term for very large R of the Casimir-Polder potential, that is the term varying as R-7, arises in second-order perturbation theory applied to the interaction Hamiltonian - \documentclass{article}\pagestyle{empty}\begin{document}$ - \sum\limits_\sigma {\frac{1}{2}\alpha (\sigma){\rm E}^{ \bot ^2 } (\sigma)} $\end{document}. The generalization to anisotropic molecules is calculated and the angular dependence of the long range intermolecular potential in this case is given explicitly in terms of the principal polarizabilities and their corresponding directions of the two molecules.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560030613
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  • 128
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    Masthead (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969) 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620010101
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  • 129
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    Basis of finite element methods for solid continua (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 3-28 
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    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Finite element methods can be formulated from the variational principles in solid mechanics by relaxing the continuity requirements along the interelement boundaries. The combination of different variational principles and different boundary continuity conditions yields numerous types of approximate methods. This paper reviews and reinterprets the existing finite element methods and indicates other alternative schemes. Plate bending problems are used to compare the relative merits of the various methods.
    Additional Material: 10 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620010103
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  • 130
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    Editorial (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 1-2 
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    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620010102
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  • 131
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    Transmission of vibration in beam systems (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 47-66 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Three methods for finding natural frequencies and modes of complex structures composed of beam elements are described and compared. The analysis is extended to include hysteretic damping for the determination of response and transmissibility without a modal analysis. Experimental comparison is given for the response of a simple engineering structure.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620010105
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  • 132
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    A refined triangular plate bending finite element (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 101-122 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The derivation of the stiffness matrix for a refined, fully compatible triangular plate bending finite element is presented. The Kirchhoff plate bending theory is assumed. Six parameters or degrees of freedom are introduced at each of the three corner nodes resulting in an 18 degree of freedom element. This refined element is found to give better results for displacements and particularly for internal moments than any plate bending element, regardless of shape, previously reported in the literature.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620010108
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  • 133
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    Numerical treatment of mixed boundary value problems in two-dimensional elastostatics (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 67-73 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Finite difference treatment of two-dimensional problems in elastostatics is usually based on the differential equations for the displacement vector or the Airy stress function, depending on whether boundary conditions are on displacement or stress. In either case, determination of stresses requires numerical differentiation and therefore use of a rather fine grid. Moreover, neither method is suited to the treatment of mixed boundary conditions. The alternative method developed in this paper uses the first derivatives of the displacement components at the grid points as basic variables and hence does not require numerical differentiation in the evaluation of stresses. Appropriate finite difference equations are established, and their use is discussed in connection with a specific example with known explicit solution.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620010106
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  • 134
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    A conforming quartic triangular element for plate bending (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 29-45 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The theory, function generator routine and testing procedures are given for a six-node 18 degree of freedom triangular element. At corner nodes the variables are the displacement and the two slopes. At midside nodes the variables are the displacement, the slope normal to the side, and the rate of change of this along the side - i.e., the rate of torsion. Of two options, one divides the triangle into three and takes different quartic displacements in the three regions, and the other uses displacement functions with singularities at the vertices. According to a test which compares the energies of the two formulations by eigenvalues, the second is the better if the integration is accurate. The same test, together with others based on finite differences and on nodal values, etc. checks the correctness of the routine decisively.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620010104
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  • 135
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    Analysis of large deflection of plates by the finite element method (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 123-133 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The large deflection problem of a rectangular plate is analysed by using the finite element method and employing the iteration technique. In the present study, the stiffness matrix of a rectangular plate element for bending proposed by Greene is employed, and results of numerical examples duly justifies applicability of the present method.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620010109
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  • 136
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    Elasto-plastic solutions of engineering problems ‘initial stress’, finite element approach (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 75-100 
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    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The paper presents first a general formulation of the elasto-plastic matrix for evaluating stress increments from those of stresses for any yield surface with an associated flow rule. A new ‘initial stress’ computational process is proposed which is shown (1) to yield more rapid convergence than alternative approaches (2) to permit large load increments without violating the yield criteria and thus simply to establish lower bound solutions. Several solutions showing stress distribution, strain development and growth of plastic enclaves are given both for the von Mises and for Coulomb (Drucker) type yield surfaces. Load reversal and thermoplastic behaviour are dealt with.
    Additional Material: 18 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620010107
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  • 137
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    Masthead (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969) 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620010201
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  • 138
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    The damped transient behaviour of finite beams and plates (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 151-162 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The direct Finite Element Analysis which was successfully employed in the solution of dynamic flexural traveling wave problems is extended herein to provide the transient behaviour of finite beams and plates in which shear deformation and rotatory inertia are considered. The particle and angular velocities are exponentially damped so that the static solutions for these problems are obtained with the same analysis which provided the dynamic and transient cases. Three special cases are chosen as examples. In the first, a sinusoidally varying shear force is applied at the tip of a cantilever beam. The resonant characteristics of this beam for both the undamped and damped cases are studied. In the second, a step shear loading is applied to a cantilever beam and its damped dynamic history is studied. Finally, a circular plate whose outer edge is simply supported is impacted at its inner edge by a step moment and its damped transient behaviour is determined. The idea of the methods is potentially applicable to dynamic problems in general.
    Additional Material: 8 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620010203
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  • 139
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    A polygonal finite element for plate bending problems using the assumed stress approach (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 135-149 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The assumed stress distribution approach is used to derive the stiffness matrix of a plate-bending element of general polygonal shape having any number of nodes. The effect of assuming various numbers of unknown coefficients in the stress distributions is examined and the convergence properties of the resulting elements compared with others derived form assumed displacements.
    Additional Material: 13 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620010202
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  • 140
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    Numerical solution and utilization of Green's functions (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 169-175 
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    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A numerical method for obtaining the Green's functions for Laplace's, Poisson's, and the transient heat diffusion equations is presented. The Green's functions thus obtained are then employed to rapidly obtain numerical solutions of the above equations by matrix multiplication, with subsequent considerable savings in machine time.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620010205
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  • 141
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    A method of solution for non-linear simultaneous algebraic equations (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 177-180 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The solution of the large numbers of non-linear algebraic equations occurring in analyses of non-linear structural systems using finite differences or finite elements is time consuming even for the fastest computers. This paper presents a method of solution based on a Taylor's expansion technique which is an aid in the solution of such systems of equations.Examples presented show that in the finite element analysis of moderately non-linear structural systems the technique provides sufficiently accurate solutions. For more non-linear systems the technique provides excellent starting values for the Newton-Raphson method.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620010206
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  • 142
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    Improved deformation functions for the finite element anlysis of beam systems (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 163-167 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Deformation functions which, in addition to satisfying the continuity conditions at nodes. Also satisfy. Approximately, the governing differential equation within the element allow system eigenvalues to be found more accurately, with a given number of elements, than is possible with previously published deformation functions. This is illustrated for the case of beams.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620010204
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  • 143
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    Economical computer techniques for numerically integrated finite elements (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 201-203 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620010208
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  • 144
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    A general theory of finite elements. I. Topological considerations (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 205-221 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: This paper presents a general theory of finite elements. The concept of finite elements is cast in a general topological framework valid for spaces of finite dimension. It is shown that the idea of finite element models can be developed in higher-dimensional spaces, independent of specific co-ordinate systems, for any type of continuous abstract function defined on the space. Generalizations of the familiar Lagrange and Hermite interpolation functions are presented as well as a general statement of the notion of generalized variables and conjugate fields. It is also shown that admissible finite elements can be developed for non-Euclidean spaces of finite dimension. Topological properties of finite element models are examined in Part I of the paper. Part II is devoted to certain applications.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620010209
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  • 145
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    Announcement (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 224-224 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620010302
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  • 146
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    Masthead (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969) 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620010301
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  • 147
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    A matrix for the solution of mixed rotating and non-rotating vibration systems (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 225-245 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A method is presented based on matrix algebra for the dynamic analysis of a mixed rotating and non-rotating vibration system. Such systems occur in practice when turbo-alternator sets are mounted on flexible steel foundations.The mathematical model considered consists of a rotating non-uniform, bi-symmetric shaft connected via three or more flexible-film bearings to a flexible structure throughout which mass is distributed. The shaft, which is assumed to rotate at constant speed, is heavy, flexible and carries several rigid axi-symmetric discs. Viscous damping is assumed to act in all parts of the system and gravitational effects are ignored.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620010303
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  • 148
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    End displacements of semi-infinite cylinders due to annular loadings (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 181-200 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Surface displacements at the end of a semi-infinite, circular cylinder due to an axisymmetric ring of forces on the end are examined. The solution which has been found may then be used to find surface displacements for general axisymmetric loadings by convolution. The solution, in tabular form, is given as corrections to the counter-part half-space solution.The method of solution involves a three step superposition process. First, the displacement due to a ring of forces on a half-space is found by using the Boussinesq solution. Then, the excess tractions on the half-space, over that of the cylinder, are removed. This is done in two parts. The problem of an infinite cylinder with linearly varying pressure and shear over a short length of the lateral surface is solved by using Fourier integrals. This is used for the removal of the pressure and shear on the lateral surface of the cylinder by convolution. Next, the stresses at the mid-section of the infinite cylinder are removed. This is done by finding a set of boundary conditions for the end which yields zero tractions on the lateral surface. Then a series of these boundary conditions is used to approximate the tractions which must be removed.With the solution thus obtained, two sample problems are shown: 1. an elastic cylinder in contact with a half-space; 2. a rigid punch in contact with an elastic cylinder.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620010207
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  • 149
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    A general theory of finite elements. II. Applications (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 247-259 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In Part I of the this paper, topological properties of finite element models of functions defined on spaces of finite dimension were examined. In this part, a number of applications of the general theory are presented. These include the generation of finite element models in the time domain and certain problems in wave propagation, kinetic theory of gases, non-linear partial differential equations, non-linear continuum mechanics, and fluid dynamics.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620010304
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  • 150
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    A version of the Aitken accelerator for computer iteration (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 275-277 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620010306
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  • 151
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    A rectangular plate bending element the use of which is equivalent to the use of the finite difference method (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 261-274 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A presentation is made of a rectangular plate bending element, the use of which corresponds to the finite difference method. The element stiffness matrix is arrived at by approximation of the strain energy of the element by suitably selected finite difference expressions which contain not only values in respect of the deflection, but also values of its first derivatives. On the basis of the connection found between the two methods, some changes are suggested in the finite difference method, which involve a more realistic way of considering the detailed distribution of the loading. The effect of these modifications is illustrated in two applications.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620010305
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  • 152
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    A theory of the solution of steady state network problems with special reference to mine ventilation networks (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 279-299 
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    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: When calculating complex interconnected systems (electrical, power, water supply, gas systems, etc.) by digital computer, a number of common problems arise, connected both with the mathematically correct formulation of the problem under investigation, and with the algorithms of the solution, the programming of which makes it possible to reduce the computing time, the store capacity and the volume of input data required. The present article is devoted to the solution of these problems. The procedure is illustrated by formulating and manipulating the equations relating to complex interconnected mine ventilation networks.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620010307
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  • 153
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    Masthead (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969) 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620010401
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  • 154
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    Derivation of stiffness matrices for problems in plane elasticity by Galerkin's method (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 301-310 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Solution of plane elastic problems by piecewise linear approximation is outlined. This method is based upon Galerkin error distribution technique, which leads to simultaneous algebraic equations identical to those associated with the Finite Element Method. In addition, this method permits definition of the discretization error, which can be computed once the displacement components are known. Properties of the interpolation functions are discussed, and a sequence of internally compatible plane elastic elements is defined.
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620010308
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  • 155
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    Minimum weight design of structures with application to elastic grillages (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 311-331 
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    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A review is given of some mathematical programming methods suitable for optimization of structures needing matrix methods for analysis. An application is presented for elastic flat grillages made of straight orthogonal beams normally loaded. Empirical relationships are used to relate beam section properties so that each beam element has only one design variable. Optimization results are obtained by methods of stress-ratio, linear programming-cutting plane and usable-feasible gradient directions. A comparison of the efficiency of these methods is given for the grillage designs which are shown to have non-convex stress constraints and numerous relative optima. Instances are given of non-fully stressed global optima and fully stressed designs which are not local optima for cases with only stress constraints. Discussions include locating the global optima for grillage designs and extensions of the methods presented to other structural design problems.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/nme.1620010402
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  • 156
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    Mass condensation : A semi-automatic method for reducing the size of vibration problems (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 333-349 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The paper presents a method for reducing the size of a vibration analysis by generating an inertia matrix referred to a limited set of ‘master’ vibrational freedoms. In designing a computer program to perform this mass condensation process, the emphasis has been on providing a two way interface between structural analysis and vibration analysis programs. The transformation from the full set of degrees of freedom to the master set makes extensive vibration calculations economically feasible giving solutions in terms of the amplitudes of the master freedoms. However, by reversing the transformation after completion of a vibration analysis, it is possible to restore the full set of freedoms, allowing automatic plotting of mode shapes in full detail, and re-entry to the structural analysis program for the purpose of computing dynamic stresses.A worked example is given. This is a realistic machine tool structure rather than the simple plates or beams which are usually used for illustration purposes. Natural frequencies and mode shapes, calculated with various degrees of condensation, are compared with those obtained by using all possible freedoms. A comparison is also made with an intuitive selection of ‘lumped masses’.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620010403
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  • 157
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    Application of non-linear programming to optimum grillage design with non-convex sets of variables (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 351-378 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The application of non-linear programming methods for the optimum design of statically indeterminate structures is discussed, with special emphasis on the design of elastic grillages loaded laterally and in plane. Some features of SUMT (sequential unconstrained minimization technique) are demonstrated by means of numerous examples of varying complexity. The Variable Metric method of search is discussed and compared to Powell's Direct Method. It is shown that non-convex sets of design variables are often encountered in structural problems of the grillage type. SUMT may still be used, but the choice of starting value and initial response factor decisively influences the chance of finding the global optimum.It is demonstrated that a fully stressed design may not necessarily correspond to the minimum weight design. Optimum design of grillages which are simultaneously subjected to lateral and in-plane loads may be performed efficiently by means of non-linear programming.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620010404
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  • 158
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    A finite element method of viscoelastic stress analysis with application to rolling contact problems (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 379-394 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A completely numerical method for steady state linear viscoelastic stress analysis is presented by means of the finite element approach. Numerical representations of the measured viscoelastic constitutive relations are used. This method is developed to obtain steady state solutions to mixed boundary value problems in which the character of the boundary conditions at a point changes with time. Such problems cannot be handled by direct application of the correspondence theorem. A numerical example of viscoelastic sheet rolling is presented along with an experimental verification of the solution by photo-viscoelastic observations.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620010405
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  • 159
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    Letters to editor (1969)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 1 (1969), S. 395-395 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620010406
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  • 160
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    An unsere verehrten Autoren und Leser des Journals für praktische Chemie (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 1-2 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110102
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  • 161
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    Peptide. VII. Synthese eines weiteren Pentapeptids mit modifizierter potentieller Circulin B-Sequenz (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 3-8 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Es wird die Synthese des geschützten Pentapeptids Boc - Orn(MOA)-Thr - Orn(Z) - Thr - Orn(Z) - OMe [3] beschrieben. Dazu wurden die beiden Dipeptide Boc - Thr - Orn(Z) - OH und Thr - Orn(Z) - OMe nach der Carbodiimid- und Azid-Methode zum Tetrapeptid gekuppelt und dieses mit Boc - Orn(MOA) - ONP zum Pentapeptid umgesetzt.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110103
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  • 162
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    Masthead (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969) 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110101
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  • 163
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    Relaissynthesen von Heterocyclen. IV. Darstellung von 4-Alkylamino-1,2,4-triazolen (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 9-14 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Die aus 4-Amino-1,2,4-triazol bzw. 3,5-Dimethyl-4-amino-1,2,4-triazol erhältlichen 1-Al-kyl-4-amino- bzw. 1-Alkyl-3,5-dimethyl-4-amino-triazolium-Salze gehen beim Erhitzen mit verdünnter Natronlauge durch Ringspaltung, Wanderung der gebildeten Acylgruppe und erneuten Ringschluß in die entsprechenden 4-Alkylamino-1,2,4-triazole über, deren Struktur bewiesen wird.Die Acylwanderung verläuft intermolekular, wie sich aus dem Kreuzungsexperiment ergibt.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110104
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  • 164
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    Dreikomponentenreaktionen. I. Halogenierung von Olefinen in Gegenwart organischer Cyanverbindungen (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 15-35 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Bei der elektrophilen Halogenierung von Olefinen in Gegenwart organischer Cyanverbindungen, wie RCN, RSCN, R2NCN, CICN und ROCN werden neben den 1,2-Dihalogenalkanen N-(β-Haloalkyl)-imidhalogenide erhalten, die bei Hydrolyse die entsprechenden Amide ergeben. So sind N-(β-Haloalkyl)-amide, N-(β-Haloalkyl)-thiolurethane, N-(β-Haloalkyl)-N′,N′-dialkylharnstoffe und N-(β-Haloalkyl)-urethane zugänglich.Die primär entstehenden Verbindungen mit Imidhalogenidstruktur sind teils zersetzliche, teils in Substanz isolierbare Verbindungen.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110105
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  • 165
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    Zur Darstellung einiger Brom-pyrazin-derivate (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 40-44 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 2-Amino-3-halogen-pyrazine werden mit Brom in Bromwasserstoffsäure leicht bromiert. Der Eintritt des Broms erfolgt in 5-Stellung. Die Darstellung von 2,3,5-Trihalogen- sowie 2,5-Dihalogen-3-hydroxy-pyrazinen aus 2-Amino-3,5-dihalogen-pyrazinen wird beschrieben.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110107
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  • 166
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    Organische Schwefelverbindungen. 98. Zur Chemie des 4,6-Diphenyl-2H-thiopyranthions-(2) (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 61-70 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 4,6-Diphenyl-2H-thiopyranthion-(2) 1, ist am Thionschwefel zu Thiopyryliumsalzen des Typs 2, alkylierbar und acylierbar. Bei der Umsetzung von Oxalylhalogeniden mit 1, oder 4,6-Diphenyl-2H-thiopyranon-(2) 4 fragmentiert das Acylierungsprodukt A zu den reaktiven 2-Halogen-thiopyryliumsalzen 3.Die Hydrolyse der 3, führt zu Gemischen von 1, und 4,6-Diphenyl-2H-thiopyranon-(2) 4, die Sulfhydrolyse zu reinem 1.1 und 2 sind zu 4 hydrolysierbar, mit primären Aminen bilden 1,2 und 3 die Azomethine 5. Am Stickstoff aliphatisch substituierte 5 werden durch Methyljodid zu 2-Dialkylamino-thiopyrylium-jodiden 6 alkyliert. Aliphatische Amine bewirken bei 4 einen Austausch des Ringschwefels gegen Stickstoff unter Bildung von 4,6-Diphenyl-pyridonen-(2) 9. Kupferbronze reagiert mit 1 unter Bildung von 4,4′,6,6′-Tetraphenyl-2,2′-dithiodipyrylen 10.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110109
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  • 167
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    7- und 8-Ringverbindungen. VIII. Transanulare H-Brücken in Cycloheptandiolen-(1,4) (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 36-39 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Am cis-4-Phenyl-4-hydroxy-cycloheptanol, cis-1,4-Dimethyl- und cis-1,4-Dibutylcycloheptandiol-(1,4) können infrarotspektroskopisch transanulare H-Brücken nachgewiesen werden. In den entsprechenden trans-Verbindungen findet keine transanulare Assoziation statt.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110106
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  • 168
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    Zur Kenntnis der 2-Amino-1.3.4-oxdiazole. XXIV. Über die Bildung von Reaktionsprodukten aus 2-Hydrazino-pyridin bzw.-chinolin und 2-Amino-5-aryl-1.3.4-oxdiazolen (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 71-77 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 2-Hydrazino-pyridin- bzw. -chinolin-hydrochlorid (1 bzw. 2) reagiert mit 2-Amino-5-aryl-1.3.4-oxdiazolen 3 in Äthanol-Pyridin unter Abspaltung von Ammoniak zu Produkten, denen die Struktur von 3-(Nβ-Aroyl-hydrazino)-s-triazolo[4,3-a]pyridinen 4 bzw. 1-(Nβ-Aroyl-hydrazino)-s-triazolo[4,3-a]chinolinen 5 zugesprochen wird, da die Verbindungen 4 in einer für dieses Ringsystem typischen Oxydationsreaktion 1.2.4-Triazol ergeben.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110110
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  • 169
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    Reaktionen mit Diazoketonen. 4. Synthese von Indigo (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 78-81 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Bei der Umsetzung von o-[p-Tosylamino]-benzoylchlorid mit ätherischer Diazomethan-lösung entsteht o-[p-Tosylamino]-ω-diazoacetophenon 5 in guter Ausbeute, aus dem über N-Tosyl-indoxyl 6 Indigo gewonnen werden kann.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110111
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  • 170
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    Über die Halogenaddition an trans-1-Phenyl-2-cyclohexyl-äthylen (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 91-96 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In Lösungsmitteln unterschiedlicher Polarität wird die Umsetzung des trans-1-Phenyl-2-cyclohexyl-äthylens mit Brom und Chlor sowie komplexen Halogenierungsmitteln untersucht. Aus der IR-spektroskopischen Produktanalyse der Diastereomerenbildung ergeben sich Schlußfolgerungen über die Natur des Zwischenzustandes bei der elektrophilen Halogenaddition.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110113
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  • 171
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    Bicyclen. VI. Umsetzungen von CH-aciden Verbindungen mit Bicyclo-(2.2.1)-heptan-aldehyden (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 97-101 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Die Umsetzung von 2,5-Methylen-1,2,5,6-tetrahydrobenzaldehyd 1 bzw. 2,5-Methylenhexahydrobenzaldehyd 2 mit Acetophenonen liefert Chalkone, während Aceton vornehmlich zum Aldol-Additionsprodukt führt. KNOEVENAGEL-Kondensationen mit Malonsäure und ihren Derivaten verlaufen in der bicyclischen Reihe im allgemeinen glatt.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110114
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  • 172
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    MO-LCAO-Berechnungen an schwefelhaltigen π-Systemen, 8. UV-S-Absorptionen von Aryldithiocarbonsäureestern (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 45-60 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Die charakteristischen UV-S-Absorptionen einiger Aryldithiocarbonsäureester werden mitgeteilt. Die längstwelligen Banden werden auf der Basis der HMO - SC-Übergangsenergien diskutiert. Die ersten intensiven Absorptionsmaxima von Dithiobenzoesäureestern, die in p-Stellung mit Elektronendonatoren substituiert sind, dienen zur Ableitung spektroskopischer Substituentenkonstanten. Diese sind auch für andere Serien brauchbar.Schon die einfache HÜCKELsche MO - LCAO - (kurz HMO-) Methode erlaubt eine Beschreibung der Anregungsenergien der längstwelligen Absorptionsbanden heterocyclischer Schwefelverbindungen im ultravioletten und sichtbaren Spektrabereich [1-5].Diese quantenchemische Methode geht von sinnvollen Annahmen über die Eigenschaften der einzelnen Atome μ und Bindungen μν in den π-Elektronensystemen aus, die als empirische Parameter αμ = αC + hμβCC (COULOMB-Integral) und βμν = kμνβCC (Resonanzintegral) in die Rechnung eingehen (vgl. [6]).In welchem Umfang die bisher verwendeten Schwefelparameter auch für die Berechnung acyclischer Schwefelverbindungen geeignet sind, ist bisher nicht eingehend geprüft worden. Ein anderes offenes Problem ist das Verhältnis der Schwefelparameter zu denen anderer Heteroatome. Dithiocarbonsäureester, deren Präparation und Reduktion Gegenstand einer früheren Veröffentlichung war [7], bieten eine Möglichkeit, diesen Fragenkomplex in Angriff zu nehmen und das experimentelle spektroskopische Material zu systematisieren.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110108
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  • 173
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    Studies on the composition of metal cyanogen complexes. II. Spectrophotometric and Conductometric Studies on the composition of uranyl cyanomolybdate(IV) (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 102-104 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Interaction of uranyl nitrate with potassium-molybdocyanide has been investigated spectrophotometrically. The reaction occurs in the molar ratio of 1:1. This is further supported by conductometric titrations performed in aqueous and aqueous-alcoholic media. Formation constant and free energy of formation has been calculated.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110115
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  • 174
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    Die experimentelle Ermittlung technisch brauchbarer MOLLIER-PONCHON-Diagramme von binären Systemen mit Mischungslücke am Beispiel des Systems Nitromethan/Wasser bei 50° (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 105-117 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Mit einem anisothermen Mischungskalorimeter, das auf dem Prinzip der thermometrischen Titration beruht, und einem Verdampfungskalorimeter, das nach der Inertgas-Durchströmungsmethode arbeitet und die isotherme differentielle Verdampfungswärme zu bestimmen gestattet, wurde das Enthalpie-Konzentrations-Diagramm (MOLLIER-PONCHON-Diagramm) des Systems Nitromethan/Wasser für 50° in einer für technische Zwecke ausreichenden Güte bestimmt. Die experimentellen Ergebnisse konnten mit theoretischen Voraussagen von SCHUBERTH [2] unter Verwendung des zweiseitigen PORTERschen Ansatzes, der für die Beschreibung des Phasengleichgewichtsverhaltens des genannten Systems eine gute Näherung darstellt [3], verglichen werden; die Übereinstimmung war im Rahmen des zu Erwartenden zufriedenstellend.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110116
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  • 175
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    Über die Nitrierung substituierter Indone. IV. Diarylindone mit Substituenten am 3-Phenylrest (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 130-134 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Es wurde die Nitrierung von 2,3-diarylsubstituierten Indonen 1 mit einer Methyl- bzw. Methoxylgruppe am 3-Phenylrest untersucht. Die anfallenden Nitroprodukte wurden durch Säulenchromatographie an Aluminiumoxid gereinigt und ihre Struktur durch IR-Spektroskopie und oxydativen Abbau ermittelt.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110118
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  • 176
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    Kinetik und Mechanismus der N2O4-Oxydation von Thioäthern (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 82-90 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Die N2O4-Oxydation von Thioäthern R1 - S - R2 in Tetrachlorkohlenstoff als Lösungsmittel wurde nach der Methode der Konkurrenzreaktion kinetisch verfolgt. Die relativen RG-Konstanten von 6 kernsubstituierten Thioanisolen genügen der Hammett-Gleichung mit ϱ = -2,71; die relativen RG-Konstanten von 30 aliphatischen Sulfiden genügen der Taft-Gleichung mit ϱ* = -1,68 und δ = 0,85. Zwischen den RG-Konstanten der N2O4-Oxydation und denen der H2O2-Oxydation besteht eine lineare Freie-Energie-Beziehung. Alle Befunde deuten darauf hin, daß bei der untersuchten Reaktion ein nucleophiler Angriff des Sulfid-S-Atoms auf ein O-Atom des N2O4 stattfindet. Da die N2O4-Oxydation nach einem Geschwindigkeitsgesetz \documentclass{article}\pagestyle{empty}\begin{document}$$ {\rm RG = k}_{\rm 3} \left[{{\rm Thio}\mathop {\rm a}\limits^{..} {\rm ther}} \right]\left[{{\rm N}_{\rm 2} {\rm O}_{\rm 4} } \right]^2 $$\end{document} verläuft, muß ein cyclischer Übergangszustand angenommen werden, der zwei Moleküle N2O4 und ein Molekül Thioäther enthält.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110112
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  • 177
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    Untersuchung der Hydrierung in der flüssigen Phase. IV. Zusammenhang zwischen der Struktur einiger Olefine und ihrer Hydrierungsgeschwindigkeit (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 135-140 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Die Hydrierungsgeschwindigkeit unverzweigter Δ1-Olefine des Kettenlängenbereiches C6—C17 in Äthanol in Gegenwart von Pt, Pd- und Rh-haltigen Trägerkontakten sinkt mit steigender Kettenlänge des Olefins. Geschwindigkeitsbestimmend ist die Reaktion an der Katalysatoroberfläche an Pt-haltigen Trägerkonstanten.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110119
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  • 178
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    Untersuchungen zur Reinigung von Oxydextran (Dialdehyddextran) unter besonderer Berücksichtigung der Rückgewinnung des Natriumjodats (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 141-146 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Es wurde gezeigt, daß eine Reinigung des bei der Perjodatoxydation des Dextrans gebildeten Oxydextrans vom Jodat in einfacher Weise mittels Ionenaustauschern auch im präparativen Maßstab erfolgen kann. An Stelle des in der Literatur für analytische Arbeiten zur Abtrennung von Perjodat beschriebenen Austauschers Amberlite IRA - 400 (Acetatform) konnten mit Erfolg Austauscher der DDR-Produktion eingesetzt werden (Wofatit SBW und Wofatit L 150 des VEB Farbenfabrik Wolfen). Wofatit L 150 ist wegen seiner höheren Kapazität und seines universelleren Anwendungsbereiches (pH 1 - 14) dem Wofatit SBW vorzuziehen. Die Abtrennung des Oxydextrans vom Jodat gelingt quantitativ bei einer Rückgewinnung des Jodats von 99,0 ± 0,7%. Ist in der zu reinigenden Oxydextranlösung neben Jodat noch Natriumsulfat in größeren Mengen vorhanden, wie es für die Regeneration des Jodats zu Perjodat durch anodische Oxydation erforderlich ist, muß zweistufig adsorbiert/eluiert werden.
    Additional Material: 5 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110120
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  • 179
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    Mono- und bicyclische α-Methylenketone als Dipolarophile (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 118-129 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Es wird die Benzonitriloxid-Addition an die semicyclische CC-Doppelbindung der 2-Methylen-cycloalkanone-(1), der benzokondensierten und bicyclischen α-Methylenketone sowie der α,α′-Dimethylen-cycloalkanone beschrieben. Die erhaltenen Spiro-isoxazoline wurden NMR-spektroskopisch untersucht und daraus die Additionsrichtung festgelegt. Die LiAlH4-Reduktion vom Benzonitriloxid-Addukt des 2-Methylen-cycloheptanons-(1) liefert 1,2-Dihydroxy-2-(β-amino-β-phenyl-äthyl)-cycloheptan.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110117
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  • 180
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    Synthese und Gaschromatographische Trennung isomerer Alkendiine (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 153-158 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Als Testsubstanzen zur Untersuchung der Abbauprodukte von Diacetylen-MANNICH-Basen-methojodiden mit wäßriger Kalilauge wurden die isomeren Octendiine und Nonendiine 1-3 synthetisiert und deren gaschromatographische Identifizierung untersucht.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110122
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  • 181
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    Zur Dünnschichtchromatographie von Alkylpyridinen (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 159-161 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110123
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  • 182
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    Zum Verlauf der Addition von Äthylnitrit an Vinyläther (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 165-167 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110125
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  • 183
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    Synthese von neuen potentiell cytostatischen Thiazolverbindungen (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 168-170 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110126
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  • 184
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    Über die Reaktion von Enaminen mit Estern der salpetrigen Säure (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 162-164 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110124
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  • 185
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    Modellversuche zur Peroxygenierung von natürlichen ungesättigten Fetten und Ölen, IV. Peroxygenierung ungesättigter Verbindungen mit sauerstoffhaltigen funktionellen Gruppen am aktivierten Kohlenstoffatom (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 147-152 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Die Peroxygenierungsgeschwindigkeiten bei Alkoholen, Essigsäureestern und Methyläthern mit olefinischen und aromatischen Gruppen werden verglichen. Die substituierten Essigsäureester und Methyläther bilden Hydroperoxide, deren Struktur bewiesen wurde. C—H-Bindungen mit benachbarten sauerstoffhaltigen funktionellen Gruppen und olefinischen oder aromatischen Resten reagieren leicht mit molekularem Sauerstoff. Enthält die funktionelle Gruppe Carbonylsauerstoff, so verläuft die Reaktion nach dem α-Methylen-Mechanismus; ist der Sauerstoff Brückenatom, so tritt keine Wanderung der Doppelbindung ein.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110121
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  • 186
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    Spot test for the Detection of Iron with 2,4-dihydroxyketoximes (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 171-171 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110127
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  • 187
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    Über Sultame. XIV. p-[N-Butansultamyl-(1,4)]-benzoesäure-(diäthylamino-äthyl)-ester (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 172-173 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110128
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  • 188
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    Darstellung von Pyridyl-3-thioäthern (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 174-177 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110129
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  • 189
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    Synthese neuer Aminoalkyläther von 7-Hydroxy-chromonen (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 183-186 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110131
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  • 190
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    Isomere Chelone: TTHA und TTAHA, II. Das komplexometrische Verhalten von Triaminotriäthyl-amin-N-hexaessigsäure (TTAHA) (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 178-182 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110130
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  • 191
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    Substituted Benzimidazoles as Possible Antitubercular Compounds (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 187-189 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110132
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  • 192
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    Masthead (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969) 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110201
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  • 193
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    Electronic Resource
    Diarylgermanium Dipseudohalides (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 190-192 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110133
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  • 194
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    Über Synthesen in der Theophyllinreihe. XIV. Synthese von Theophyllinderivaten der Diphenylpropylamin-Reihe (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 193-200 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Es wird eine Reihe von Theophyllinderivaten beschrieben, welche zu den Diphenylpropylaminen gehören.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110202
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  • 195
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    Über die Bildung von in Nβ-Stellung durch Heterocyclen substituierten 5-Azo(hydrazino)-1.2.4-triazolen (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 213-218 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 1-Acyl-5-[(3-phenyl)-1.2.4-triazolyl-(5)]-diaminoguanidine sowie 1-Benzoyl-5-[(3-phenyl)-1.2.4-thiodiazolyl-(5)]- und 1-Benzoyl-5-[pyridyl-(4)]-diaminoguanidin cyclisieren in siedender Alkalilauge durch intramolekulare Wasserabspaltung und gleichzeitige Oxydation durch Luftsauerstoff zu in Nβ-Stellung durch Heterocyclen substituierten 3-Aryl(alkyl)-5-azo-1.2.4-triazolen, die durch Zinn (II)-chlorid in saurem oder durch Natrimdithionit in alkalischem Milieu zu den korrespondierenden Hydrazoverbindungen reduziert werden können.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110204
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  • 196
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    Electronic Resource
    Bicyclen, VIII. Stereochemische Untersuchungen an Bicyclo-(2.2.1)-hepten-aldehyd (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 201-212 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Die Temperaturabhängigkeit des endo/exo-Isomerenverhältnisses bei der Umsetzung von Cyclopentadien mit Acrolein wird untersucht; in dieser kinetisch kontrollierten Reaktion fällt der Gehalt an endo-Form von 76% bei 20°C (in Dioxan) auf 71% bei 101°C. Für die Bildung der endo-Form wird bei etwa gleicher Aktivierungsentropie eine geringere Aktivierungsenthalpie benötigt (ΔΔH≠ 650 cal/Mol). Beim Erhitzen von 2,5-Methylen-1,2,5,6-tetrahydrobenzaldehyd 1 erfolgt Isomerisierung, wobei der Gleichgewichtswert bei 170°C nach wenigen Stunden erreicht wird; unter 100° bleibt die Ausgangszusammensetzung erhalten.Die Äquilibrierung mit Basen liefert den Gleichgewichtswert bereits nach wenigen Minuten: Kexo/endo = 0,695 (20°C); 0,925 (100°C). Die Basenkonzentration muß niedrig sein. da beim Aldehyd 1 leicht CANNIZZARO-Reaktion eintritt.Äquilibrierungsversuche mit Säuren schlugen infolge Nebenproduktbildung fehl.Durch alkalische Hydrolyse des Enolacetats 5 wird das thermodynamisch, durch saure Spaltung von 5 sowie des Enoläthers 6 oder der Enamine 7 wird das kinetisch bestimmte endo/exo-Verhältnis (∼ 75/25) erhalten.Reaktivitätsunterschiede der beiden Formen des Aldehyds 1 machen sich nicht bemerkbar.
    Additional Material: 5 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110203
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  • 197
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    Heterocyclic azo dyes. IIFor Part I, see reference 7.. Azo Dyes Containing the Benzotriazole and/or benzimidazole nucleus (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 219-227 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The synthesis, some dyeing, and fastness properties of several new dispersed and acid dyes derived from the amino-benzotriazoles 1 & 3 and the aminobenzimidazoles 2a, 2b & 4 are described. The suitability of the amino derivatives 1, 2a, 2b, 3 & 4 as bases for azoic dyeing has also been studied. Several interesting observations between the properties of some synthesised dyes and the corresponding benzene or naphthalene analogues are cited.
    Additional Material: 6 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110205
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  • 198
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    Synthesen mit N,N′-disubstituierten Schwefelsäurediamiden. IX. Zur Geometrie der SO2-Gruppe in substituierten Schwefelsäurediamiden (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 228-230 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Durch Auswertung der IR-Spektren einiger substituierter Schwefelsäurediamide konnten für die SO2-Gruppe dieser Amide folgende Moleküldaten nach GILLESPIE berechnet werden: Bindungsabstand, Bindungswinkel, Kraftkonstante sowie Bindungsabstand.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110206
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  • 199
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    Zur Kenntnis der 2-Amino-1,3,4-oxdiazole. XXVI. Über die Umsetzung einiger 2-Amino-1,3,4-oxdiazole mit Benzylhydrazin (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 231-237 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Benzylhydrazin reagiert analog dem Phenylhydrazin und im Gegensatz zu aliphatischen Hydrazinen mit in 5-Stellung substituierten 2-Amino-1,3,4-oxdiazolen zu Diamino-guanidinen, die sich zu 1,2,4-Triazolen cyclisieren lassen.
    Additional Material: 6 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110207
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  • 200
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    Über die Synthese von phosphororganischen Isocyanaten (1969)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 311 (1969), S. 256-259 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Es werden neue Methoden zur Herstellung von phosphororganischen Isocyanaten durch Umsetzung von phosphororganischen Amidsalzen mit Phosgen oder Oxalylchlorid und aus N-Diphenyl-phosphinsäureureiden mit Phosgen beschrieben. Phosphonsäurediureide liefern mit Phosgen Dioxo-triazaphosphorinane.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19693110209
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