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  • Inorganic Chemistry  (42)
  • Computational Chemistry and Molecular Modeling  (6)
  • Wiley-Blackwell  (48)
  • 1970-1974  (48)
  • 1950-1954
  • 1973  (48)
  • 1950
Collection
Keywords
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  • Wiley-Blackwell  (48)
Years
  • 1970-1974  (48)
  • 1950-1954
Year
  • 1
    Electronic Resource
    Electronic Resource
    Beiträge zur Chemie des Schwefels. 113. Der Einfluß von Verunreinigungen auf die elektrische Leitfähigkeit des flüssigen Schwefels (1973)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 399 (1973), S. 77-86 
    Details
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Contributions to the Chemistry of Sulphur. 113. The Effect of Impurities on the Electrical Conductivity of Molten SulphurThe electrical conductivity of molten sulfur in the range up to 200°C was analysed on samples which were specially purified as well as doped with paraffin, phenanthrene, benzidine, benzil, bromine, and iodine.The current flow below 160°C results from electrophoretically migrating impurities and by interaction with the impurities ionized molecules, whereas at higher temperatures conduction is caused by electrons. At the minimum of viscosity of the molten sulfur (154,5°C) the conductivity shows a maximum, which is shifted by impurities especially halogens up to 10°C towards lower temperatures. The relation between the electrophoretic conduction in the sulfur melt and the viscosity, which determines the mobility of the charged particles, is discussed.
    Notes: Die elektrische Leitfähigkeit des flüssigen Schwefels im Temperaturbereich bis 200°C wurde an nach verschiedenen Verfahren gereinigten und an mit Paraffin, Phenanthren, Benzidin, Benzil, Methandithiol sowie Brom und Jod dotierten Proben untersucht. Während bei höheren Temperaturen Elektronenleitung vorliegt, erfolgt der Ladungstransport unterhalb von 160°C, und zwar auch bei den reinsten heute darstellbaren Schwefelproben, durch elektrophoretisch wandernde Verunreinigungsteilchen bzw. In Wechselwirkung mit den Verunreinigungen ionisierte Schwefelmolekeln. Im Bereich des Viskositätsminimums der Schwefelschmelze (154,5°C) besitzt die Leitfähigkeit ein Maximum, das jedoch durch Beimengungen, insbesondere von Halogenen, auf bis zu 10°C niedrigere Temperaturen verschoben wird. Der Zusammenhang zwischen der elektrophoretischen Leitung im Schwefel und der die Beweglichkeit der geladenen Teilchen bestimmenden Zähigkeit der Schmelze wird diskutiert.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19733990111
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  • 2
    Electronic Resource
    Electronic Resource
    Preparation and study of new Complex Halogeno Acids of Iron(III) (1973)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 399 (1973), S. 345-348 
    Details
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Darstellung und Untersuchung neuer komplexer Halogenosäuren des EisensEs wird über die Darstellung von gemischten Chloro-Bromo-Säuren von Eisen(III) und über einige ihrer Eigenschaften berichtet.
    Notes: The preparation of three simple and mixed halogeno acids of iron(III) is reported, and some physical and chemical properties as well as their I.R.-spectra are described.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19733990309
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  • 3
    Electronic Resource
    Electronic Resource
    Die Darstellung von Schwefeltetrafluorid aus den Elementen bei tiefer Temperatur in einem inerten Lösungsmittel (1973)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 401 (1973), S. 53-56 
    Details
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The Preparation of Sulphur Tetrafluoride from the Elements at low Temperature in an Inert SolventPure sulphurtetrafluoride cna be prepared by the fluorination of elemental sulphur in CCl3F at -78°C in high yields.
    Notes: Schwefeltetrafluorid läßt sich in reiner Form in einer CCl3F-Lösung durch direkte Fluorierung von elementarem Schwefel bei -78°C in hoher Ausbeute darstellen.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19734010108
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  • 4
    Electronic Resource
    Electronic Resource
    Asterane, IX. Synthese und Struktur von Tetramethyltetraasteranen (1973)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 106 (1973), S. 150-156 
    Details
    ISSN: 0009-2940
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Asteranes, IX. Synthesis and Structure of Tetramethyltetraasteranes1,2,7,8- and 1,4,5,8-tetramethylpentacyclo[6.4.0.02.7.04.11.05.10.]dodecane (3 and 6) are obtained by Wolff-Kishner reduction of the cage dimers from 2,3- and 2,5-dimethyl-p-benzoquinone via the tetrahydrazones 2 and 5. The structure of 6 is confirmed by X-ray-diffraction analysis.
    Notes: Wolff-Kishner-Reduktion überführt die Käfigdimeren aus 2,3- und 2,5-Dimethyl-p-benzochinon in 1,2,7,8- und 1,4,5,8-Tetramethylpentacyclo[6.4.0.02.7.04.11.05.10]dodecan (3 und 6), wobei es notwendig ist, die Tetrahydrazone 2 und 5 zu isolieren. Die Struktur von 6 wird durch Röntgenanalyse bestätigt.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cber.19731060118
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  • 5
    Electronic Resource
    Electronic Resource
    Protonenresonanz-Spektroskopie ungesättigter Ringsysteme, XVIIIXVII. Mitteil.: D. Cremer und H. Günther, Liebigs Ann. Chem. 763, 87 (1972). Ein Benzolimin-1H-Azepin-Gleichgewicht (1973)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 106 (1973), S. 984-995 
    Details
    ISSN: 0009-2940
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Proton Resonance Spectroscopy of Unsaturated Ringsystems, XVIII.XVII. Mitteil.: D. Cremer und H. Günther, Liebigs Ann. Chem. 763, 87 (1972) A Benzeneimine-1 H-Azepine EquilibriumThe temperature dependence of the 1H n.m.r. spectrum of 4,5-bis(methoxycarbonyl)-3,6-diphenyl-1-p-tosyl-1H-azepine (11) is described. The results are interpreted on the basis of a benzeneimine-1H-azepine valence tautomerism (equilibrium distribution at room temperature ca. 3 : 97).
    Notes: Es wird über die Temperaturabhängigkeit des 1H-NMR-Spektrums von 4,5-Bis(methoxycarbonyl)-3,6-diphenyl-1 -p-tosyl-1H-azepin (11) berichtet. Die Befunde werden im Sinne einer Benzolimin-1H-Azepin-Valenztautomerie (Gleichgewichts-Verteilung bei Raumtemperatur ca. 3 : 97) interpretiert.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cber.19731060332
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  • 6
    Electronic Resource
    Electronic Resource
    Integrals of quantum chemical interest in bases of laguerre functions. I. Functions of order 2l+2 (1973)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 7 (1973), S. 285-300 
    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: Formulae are presented for the evaluation of some definite integrals in which the Laguerre orthogonal functions are contained. In some cases mechanical quadratures are to be preferred, and a scheme is presented for generating such a quadrature as it is needed.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560070211
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  • 7
    Electronic Resource
    Electronic Resource
    Gaussian orbitals optimized for lower bounds of hydrogenic atoms (1973)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 7 (1973), S. 951-958 
    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: Various optimization criteria are compared for the hydrogen atom to find orbitals which improve lower bounds computed from the Weinstein, Temple, and Stevenson-Crawford formulas. Minimization of squared energy deviation, “variance,” is recommended because the resulting lower bound orbitals give excellent lower bounds, converge to the exact wave function, are relatively easy to optimize, and are insensitive to the estimated energy eigenvalue. New linear combinations of Gaussian orbitals which minimize the variance are presented for the 1s, 2s, 2p, 3s, 3p, and 3d orbitals. These orbitals are compared with previous linear combinations with regard to their expectation values and local properties.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560070510
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  • 8
    Electronic Resource
    Electronic Resource
    Computations on Heisenberg Spin ModelsSupported by the National Science Foundation, Washington, D.C. and the Robert A. Welch Foundation, Houston, Texas (1973)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 7 (1973), S. 647-665 
    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 computational approach for general Heisenberg spin Hamiltonians for a finite number of interacting doublet species is described. Maximum use of permutation and point group symmetry is incorporated in factorizing the secular equation. Associated problems in the computation of symmetric group characters, related frequencies, and selection of linearly independent kets from a large linearly dependent set are also solved.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560070403
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  • 9
    Electronic Resource
    Electronic Resource
    A note on Löwdin orthogonalization and the square root of a positive self-adjoint matrix (1973)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 7 (1973), S. 561-568 
    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 quadratically convergent process using a continued fraction method for finding the square root of the overlap matrix used in Löwdin orthogonalization is presented. The continued fraction method is compared to several other methods for finding the square root of a matrix. The method is found to be more efficient than the other methods when high accuracy is desired.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560070311
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  • 10
    Electronic Resource
    Electronic Resource
    Importance sampling in local energy calculations on H2Research performed under the auspices of the U.S. Atomic Energy Commission. (1973)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 7 (1973), S. 1099-1116 
    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 importance sampling method of point selection has been used in the local energy framework to obtain least-squares solutions of the Schrödinger equation for a variety of H2 functions. It is shown that good results are obtainable with relatively small samples, and that the method is rather insensitive within broad limits to the nature of the weighting function employed. Expectation values for a number of operators besides the energy are examined. The energy variances are likewise scrutinized and attempts are made to rationalize their behavior in terms of how and to what extent sample points are chosen.
    Additional Material: 7 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560070607
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